USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 957 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 ASN :FLIP amide:sc= -2.69! F(o=-5.1,f=-3.1!) USER MOD Set 1.2: A 57 MET CE :methyl 154:sc= -0.364 (180deg=-0.731) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 152:sc= 0.332 (180deg=0.0669) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.0861 F(o=-0.61,f=-0.086) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -170:sc= 0 USER MOD Single : A 30 CYS SG : rot 144:sc= -7.72! USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 110:sc= -5.24! USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.344 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 67:sc= -7.45! USER MOD Single : A 53 SER OG : rot 117:sc= 1.18 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0993 X(o=-0.099,f=-0.0054) USER MOD Single : A 70 LYS NZ :NH3+ -155:sc= -0.0503 (180deg=-0.414) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 HIS : no HE2:sc= -19.9! C(o=-20!,f=-29!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot -170:sc= -0.0559 USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.197 K(o=-0.2,f=-2.8!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -107:sc= 0.783 (180deg=0.0296) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS :FLIP no HD1:sc= -0.145 F(o=-0.77,f=-0.15) USER MOD Single : A 122 TYR OH : rot 30:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.146 -12.848 -18.392 1.00 0.00 N ATOM 2 CA MET A 1 -8.792 -11.517 -18.213 1.00 0.00 C ATOM 3 C MET A 1 -9.203 -11.342 -16.751 1.00 0.00 C ATOM 4 O MET A 1 -8.684 -10.501 -16.044 1.00 0.00 O ATOM 5 CB MET A 1 -10.034 -11.429 -19.103 1.00 0.00 C ATOM 6 CG MET A 1 -9.610 -11.135 -20.542 1.00 0.00 C ATOM 7 SD MET A 1 -9.664 -9.350 -20.834 1.00 0.00 S ATOM 8 CE MET A 1 -8.820 -9.360 -22.434 1.00 0.00 C ATOM 0 H1 MET A 1 -8.292 -13.176 -19.368 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.127 -12.767 -18.202 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.568 -13.531 -17.731 1.00 0.00 H new ATOM 0 HA MET A 1 -8.088 -10.732 -18.490 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.592 -12.365 -19.061 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.699 -10.645 -18.741 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.603 -11.513 -20.720 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.272 -11.649 -21.240 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.741 -8.340 -22.810 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.822 -9.782 -22.316 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.388 -9.964 -23.141 1.00 0.00 H new ATOM 20 N GLN A 2 -10.131 -12.134 -16.291 1.00 0.00 N ATOM 21 CA GLN A 2 -10.575 -12.019 -14.874 1.00 0.00 C ATOM 22 C GLN A 2 -9.492 -12.586 -13.956 1.00 0.00 C ATOM 23 O GLN A 2 -8.450 -13.022 -14.405 1.00 0.00 O ATOM 24 CB GLN A 2 -11.868 -12.814 -14.681 1.00 0.00 C ATOM 25 CG GLN A 2 -13.066 -11.865 -14.749 1.00 0.00 C ATOM 26 CD GLN A 2 -14.209 -12.537 -15.510 1.00 0.00 C ATOM 27 OE1 GLN A 2 -14.326 -13.835 -15.472 1.00 0.00 O flip ATOM 28 NE2 GLN A 2 -15.003 -11.873 -16.147 1.00 0.00 N flip ATOM 0 H GLN A 2 -10.602 -12.857 -16.836 1.00 0.00 H new ATOM 0 HA GLN A 2 -10.750 -10.971 -14.631 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -11.954 -13.581 -15.451 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.852 -13.328 -13.720 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -13.391 -11.601 -13.743 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -12.781 -10.938 -15.246 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -14.911 -10.858 -16.176 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -15.761 -12.331 -16.652 1.00 0.00 H new ATOM 37 N ARG A 3 -9.731 -12.593 -12.676 1.00 0.00 N ATOM 38 CA ARG A 3 -8.715 -13.141 -11.734 1.00 0.00 C ATOM 39 C ARG A 3 -7.513 -12.198 -11.662 1.00 0.00 C ATOM 40 O ARG A 3 -6.566 -12.328 -12.411 1.00 0.00 O ATOM 41 CB ARG A 3 -8.256 -14.514 -12.228 1.00 0.00 C ATOM 42 CG ARG A 3 -9.430 -15.235 -12.895 1.00 0.00 C ATOM 43 CD ARG A 3 -9.389 -16.722 -12.535 1.00 0.00 C ATOM 44 NE ARG A 3 -8.834 -17.498 -13.681 1.00 0.00 N ATOM 45 CZ ARG A 3 -8.776 -18.801 -13.619 1.00 0.00 C ATOM 46 NH1 ARG A 3 -9.825 -19.484 -13.247 1.00 0.00 N ATOM 47 NH2 ARG A 3 -7.672 -19.421 -13.932 1.00 0.00 N ATOM 0 H ARG A 3 -10.585 -12.244 -12.240 1.00 0.00 H new ATOM 0 HA ARG A 3 -9.156 -13.236 -10.742 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -7.435 -14.402 -12.936 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -7.879 -15.105 -11.393 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -10.373 -14.797 -12.567 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -9.379 -15.111 -13.977 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -8.775 -16.875 -11.648 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -10.391 -17.076 -12.294 1.00 0.00 H new ATOM 0 HE ARG A 3 -8.500 -17.011 -14.513 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -10.689 -19.000 -13.005 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -9.780 -20.502 -13.199 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.853 -18.888 -14.225 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -7.627 -20.439 -13.883 1.00 0.00 H new ATOM 61 N GLY A 4 -7.539 -11.250 -10.763 1.00 0.00 N ATOM 62 CA GLY A 4 -6.390 -10.308 -10.649 1.00 0.00 C ATOM 63 C GLY A 4 -6.475 -9.534 -9.330 1.00 0.00 C ATOM 64 O GLY A 4 -7.423 -8.819 -9.075 1.00 0.00 O ATOM 0 H GLY A 4 -8.303 -11.088 -10.106 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.451 -10.860 -10.696 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.394 -9.613 -11.489 1.00 0.00 H new ATOM 68 N ILE A 5 -5.483 -9.671 -8.491 1.00 0.00 N ATOM 69 CA ILE A 5 -5.494 -8.945 -7.185 1.00 0.00 C ATOM 70 C ILE A 5 -4.523 -7.768 -7.237 1.00 0.00 C ATOM 71 O ILE A 5 -3.352 -7.901 -6.924 1.00 0.00 O ATOM 72 CB ILE A 5 -5.047 -9.883 -6.073 1.00 0.00 C ATOM 73 CG1 ILE A 5 -5.909 -11.144 -6.078 1.00 0.00 C ATOM 74 CG2 ILE A 5 -5.191 -9.175 -4.725 1.00 0.00 C ATOM 75 CD1 ILE A 5 -5.387 -12.120 -5.022 1.00 0.00 C ATOM 0 H ILE A 5 -4.663 -10.256 -8.653 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.506 -8.587 -6.993 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.005 -10.161 -6.234 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.948 -10.888 -5.871 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.886 -11.610 -7.063 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.872 -9.845 -3.926 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.571 -8.279 -4.717 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.233 -8.897 -4.570 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.001 -13.021 -5.024 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.354 -12.384 -5.250 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.433 -11.651 -4.039 1.00 0.00 H new ATOM 87 N VAL A 6 -4.994 -6.618 -7.620 1.00 0.00 N ATOM 88 CA VAL A 6 -4.098 -5.437 -7.685 1.00 0.00 C ATOM 89 C VAL A 6 -4.403 -4.496 -6.515 1.00 0.00 C ATOM 90 O VAL A 6 -5.533 -4.090 -6.320 1.00 0.00 O ATOM 91 CB VAL A 6 -4.327 -4.725 -9.022 1.00 0.00 C ATOM 92 CG1 VAL A 6 -5.521 -3.766 -8.919 1.00 0.00 C ATOM 93 CG2 VAL A 6 -3.072 -3.939 -9.403 1.00 0.00 C ATOM 0 H VAL A 6 -5.962 -6.445 -7.891 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.055 -5.747 -7.614 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.540 -5.472 -9.787 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.671 -3.268 -9.877 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.418 -4.328 -8.658 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.323 -3.020 -8.149 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.235 -3.432 -10.354 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.857 -3.200 -8.631 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.228 -4.623 -9.496 1.00 0.00 H new ATOM 103 N TRP A 7 -3.418 -4.143 -5.727 1.00 0.00 N ATOM 104 CA TRP A 7 -3.699 -3.232 -4.587 1.00 0.00 C ATOM 105 C TRP A 7 -3.274 -1.811 -4.955 1.00 0.00 C ATOM 106 O TRP A 7 -2.149 -1.410 -4.727 1.00 0.00 O ATOM 107 CB TRP A 7 -2.930 -3.692 -3.352 1.00 0.00 C ATOM 108 CG TRP A 7 -3.872 -3.806 -2.200 1.00 0.00 C ATOM 109 CD1 TRP A 7 -4.596 -2.788 -1.683 1.00 0.00 C ATOM 110 CD2 TRP A 7 -4.201 -4.984 -1.418 1.00 0.00 C ATOM 111 NE1 TRP A 7 -5.351 -3.271 -0.630 1.00 0.00 N ATOM 112 CE2 TRP A 7 -5.142 -4.620 -0.428 1.00 0.00 C ATOM 113 CE3 TRP A 7 -3.774 -6.319 -1.473 1.00 0.00 C ATOM 114 CZ2 TRP A 7 -5.646 -5.555 0.477 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -4.278 -7.263 -0.565 1.00 0.00 C ATOM 116 CH2 TRP A 7 -5.212 -6.881 0.409 1.00 0.00 C ATOM 0 H TRP A 7 -2.448 -4.443 -5.825 1.00 0.00 H new ATOM 0 HA TRP A 7 -4.767 -3.249 -4.369 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -2.453 -4.653 -3.543 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.136 -2.983 -3.119 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -4.586 -1.767 -2.034 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -5.985 -2.700 -0.071 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -3.053 -6.622 -2.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -6.366 -5.256 1.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -3.945 -8.289 -0.617 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.595 -7.612 1.106 1.00 0.00 H new ATOM 127 N VAL A 8 -4.163 -1.047 -5.524 1.00 0.00 N ATOM 128 CA VAL A 8 -3.811 0.348 -5.900 1.00 0.00 C ATOM 129 C VAL A 8 -3.888 1.232 -4.657 1.00 0.00 C ATOM 130 O VAL A 8 -4.947 1.444 -4.100 1.00 0.00 O ATOM 131 CB VAL A 8 -4.794 0.859 -6.952 1.00 0.00 C ATOM 132 CG1 VAL A 8 -4.462 2.314 -7.291 1.00 0.00 C ATOM 133 CG2 VAL A 8 -4.677 0.003 -8.214 1.00 0.00 C ATOM 0 H VAL A 8 -5.118 -1.329 -5.745 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.802 0.375 -6.310 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.811 0.798 -6.563 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.162 2.682 -8.042 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.541 2.924 -6.391 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.446 2.374 -7.682 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.378 0.366 -8.966 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.661 0.067 -8.604 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.909 -1.034 -7.973 1.00 0.00 H new ATOM 143 N VAL A 9 -2.776 1.746 -4.212 1.00 0.00 N ATOM 144 CA VAL A 9 -2.799 2.607 -3.000 1.00 0.00 C ATOM 145 C VAL A 9 -3.042 4.065 -3.410 1.00 0.00 C ATOM 146 O VAL A 9 -2.135 4.763 -3.821 1.00 0.00 O ATOM 147 CB VAL A 9 -1.461 2.479 -2.265 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.347 3.131 -3.086 1.00 0.00 C ATOM 149 CG2 VAL A 9 -1.568 3.167 -0.906 1.00 0.00 C ATOM 0 H VAL A 9 -1.857 1.608 -4.633 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.603 2.290 -2.336 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.225 1.424 -2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.600 3.035 -2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.272 2.637 -4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.574 4.187 -3.234 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.618 3.079 -0.378 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.807 4.221 -1.049 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.355 2.693 -0.319 1.00 0.00 H new ATOM 159 N ASP A 10 -4.267 4.522 -3.316 1.00 0.00 N ATOM 160 CA ASP A 10 -4.574 5.928 -3.711 1.00 0.00 C ATOM 161 C ASP A 10 -5.849 6.422 -3.008 1.00 0.00 C ATOM 162 O ASP A 10 -6.853 5.741 -2.993 1.00 0.00 O ATOM 163 CB ASP A 10 -4.786 5.984 -5.224 1.00 0.00 C ATOM 164 CG ASP A 10 -4.623 7.425 -5.712 1.00 0.00 C ATOM 165 OD1 ASP A 10 -4.852 8.327 -4.924 1.00 0.00 O ATOM 166 OD2 ASP A 10 -4.271 7.601 -6.867 1.00 0.00 O ATOM 0 H ASP A 10 -5.065 3.981 -2.983 1.00 0.00 H new ATOM 0 HA ASP A 10 -3.741 6.567 -3.418 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.068 5.336 -5.726 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.780 5.614 -5.476 1.00 0.00 H new ATOM 171 N ASP A 11 -5.789 7.615 -2.449 1.00 0.00 N ATOM 172 CA ASP A 11 -6.952 8.247 -1.737 1.00 0.00 C ATOM 173 C ASP A 11 -8.123 7.275 -1.588 1.00 0.00 C ATOM 174 O ASP A 11 -9.156 7.436 -2.200 1.00 0.00 O ATOM 175 CB ASP A 11 -7.409 9.473 -2.531 1.00 0.00 C ATOM 176 CG ASP A 11 -7.681 10.638 -1.577 1.00 0.00 C ATOM 177 OD1 ASP A 11 -7.731 10.400 -0.381 1.00 0.00 O ATOM 178 OD2 ASP A 11 -7.835 11.748 -2.058 1.00 0.00 O ATOM 0 H ASP A 11 -4.950 8.195 -2.459 1.00 0.00 H new ATOM 0 HA ASP A 11 -6.627 8.532 -0.736 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -6.644 9.755 -3.254 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -8.310 9.236 -3.096 1.00 0.00 H new ATOM 183 N ASP A 12 -7.961 6.270 -0.779 1.00 0.00 N ATOM 184 CA ASP A 12 -9.054 5.274 -0.574 1.00 0.00 C ATOM 185 C ASP A 12 -10.387 5.992 -0.351 1.00 0.00 C ATOM 186 O ASP A 12 -10.453 7.204 -0.307 1.00 0.00 O ATOM 187 CB ASP A 12 -8.734 4.406 0.648 1.00 0.00 C ATOM 188 CG ASP A 12 -8.963 5.213 1.927 1.00 0.00 C ATOM 189 OD1 ASP A 12 -8.997 6.428 1.839 1.00 0.00 O ATOM 190 OD2 ASP A 12 -9.101 4.600 2.973 1.00 0.00 O ATOM 0 H ASP A 12 -7.111 6.091 -0.244 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.131 4.646 -1.462 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -9.364 3.517 0.650 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -7.700 4.064 0.603 1.00 0.00 H new ATOM 195 N SER A 13 -11.447 5.240 -0.212 1.00 0.00 N ATOM 196 CA SER A 13 -12.793 5.851 0.006 1.00 0.00 C ATOM 197 C SER A 13 -13.388 6.259 -1.342 1.00 0.00 C ATOM 198 O SER A 13 -14.347 5.679 -1.809 1.00 0.00 O ATOM 199 CB SER A 13 -12.675 7.082 0.910 1.00 0.00 C ATOM 200 OG SER A 13 -13.927 7.327 1.539 1.00 0.00 O ATOM 0 H SER A 13 -11.438 4.220 -0.240 1.00 0.00 H new ATOM 0 HA SER A 13 -13.443 5.121 0.489 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.903 6.922 1.662 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.374 7.950 0.324 1.00 0.00 H new ATOM 0 HG SER A 13 -13.853 8.113 2.119 1.00 0.00 H new ATOM 206 N SER A 14 -12.821 7.247 -1.980 1.00 0.00 N ATOM 207 CA SER A 14 -13.350 7.677 -3.303 1.00 0.00 C ATOM 208 C SER A 14 -12.504 7.042 -4.406 1.00 0.00 C ATOM 209 O SER A 14 -13.011 6.605 -5.419 1.00 0.00 O ATOM 210 CB SER A 14 -13.281 9.201 -3.417 1.00 0.00 C ATOM 211 OG SER A 14 -14.147 9.784 -2.452 1.00 0.00 O ATOM 0 H SER A 14 -12.016 7.773 -1.642 1.00 0.00 H new ATOM 0 HA SER A 14 -14.388 7.360 -3.404 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.258 9.543 -3.258 1.00 0.00 H new ATOM 0 HB3 SER A 14 -13.571 9.516 -4.420 1.00 0.00 H new ATOM 0 HG SER A 14 -14.104 10.761 -2.521 1.00 0.00 H new ATOM 217 N ILE A 15 -11.214 6.985 -4.214 1.00 0.00 N ATOM 218 CA ILE A 15 -10.338 6.375 -5.251 1.00 0.00 C ATOM 219 C ILE A 15 -10.606 4.873 -5.321 1.00 0.00 C ATOM 220 O ILE A 15 -10.590 4.280 -6.381 1.00 0.00 O ATOM 221 CB ILE A 15 -8.861 6.615 -4.917 1.00 0.00 C ATOM 222 CG1 ILE A 15 -8.544 8.102 -5.091 1.00 0.00 C ATOM 223 CG2 ILE A 15 -8.005 5.797 -5.881 1.00 0.00 C ATOM 224 CD1 ILE A 15 -8.557 8.458 -6.580 1.00 0.00 C ATOM 0 H ILE A 15 -10.731 7.334 -3.386 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.559 6.837 -6.213 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.652 6.317 -3.890 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -9.277 8.706 -4.556 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.569 8.329 -4.661 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.950 5.957 -5.656 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.243 4.739 -5.771 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.210 6.110 -6.905 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.331 9.517 -6.703 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.807 7.864 -7.103 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -9.542 8.246 -6.996 1.00 0.00 H new ATOM 236 N ARG A 16 -10.867 4.254 -4.204 1.00 0.00 N ATOM 237 CA ARG A 16 -11.151 2.795 -4.219 1.00 0.00 C ATOM 238 C ARG A 16 -12.389 2.560 -5.076 1.00 0.00 C ATOM 239 O ARG A 16 -12.448 1.643 -5.872 1.00 0.00 O ATOM 240 CB ARG A 16 -11.420 2.302 -2.797 1.00 0.00 C ATOM 241 CG ARG A 16 -11.842 0.833 -2.845 1.00 0.00 C ATOM 242 CD ARG A 16 -11.636 0.195 -1.472 1.00 0.00 C ATOM 243 NE ARG A 16 -12.857 0.398 -0.643 1.00 0.00 N ATOM 244 CZ ARG A 16 -13.960 -0.231 -0.941 1.00 0.00 C ATOM 245 NH1 ARG A 16 -14.118 -1.475 -0.582 1.00 0.00 N ATOM 246 NH2 ARG A 16 -14.905 0.384 -1.601 1.00 0.00 N ATOM 0 H ARG A 16 -10.896 4.695 -3.285 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.296 2.254 -4.624 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.526 2.416 -2.185 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -12.202 2.903 -2.333 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -12.888 0.754 -3.140 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.258 0.301 -3.596 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -11.430 -0.870 -1.581 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.771 0.638 -0.979 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.830 1.029 0.158 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.379 -1.955 -0.068 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -14.980 -1.967 -0.815 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -14.780 1.356 -1.883 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -15.768 -0.108 -1.834 1.00 0.00 H new ATOM 260 N TRP A 17 -13.377 3.397 -4.921 1.00 0.00 N ATOM 261 CA TRP A 17 -14.617 3.246 -5.727 1.00 0.00 C ATOM 262 C TRP A 17 -14.262 3.362 -7.207 1.00 0.00 C ATOM 263 O TRP A 17 -14.469 2.444 -7.969 1.00 0.00 O ATOM 264 CB TRP A 17 -15.606 4.350 -5.340 1.00 0.00 C ATOM 265 CG TRP A 17 -16.990 3.953 -5.742 1.00 0.00 C ATOM 266 CD1 TRP A 17 -17.783 3.101 -5.056 1.00 0.00 C ATOM 267 CD2 TRP A 17 -17.754 4.380 -6.905 1.00 0.00 C ATOM 268 NE1 TRP A 17 -18.988 2.977 -5.725 1.00 0.00 N ATOM 269 CE2 TRP A 17 -19.018 3.747 -6.871 1.00 0.00 C ATOM 270 CE3 TRP A 17 -17.475 5.248 -7.977 1.00 0.00 C ATOM 271 CZ2 TRP A 17 -19.973 3.967 -7.866 1.00 0.00 C ATOM 272 CZ3 TRP A 17 -18.433 5.471 -8.979 1.00 0.00 C ATOM 273 CH2 TRP A 17 -19.679 4.832 -8.924 1.00 0.00 C ATOM 0 H TRP A 17 -13.377 4.181 -4.268 1.00 0.00 H new ATOM 0 HA TRP A 17 -15.073 2.274 -5.538 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -15.566 4.526 -4.265 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -15.330 5.285 -5.827 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -17.520 2.599 -4.137 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -19.760 2.389 -5.410 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -16.518 5.746 -8.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -20.932 3.472 -7.818 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -18.208 6.139 -9.797 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -20.411 5.008 -9.698 1.00 0.00 H new ATOM 284 N VAL A 18 -13.750 4.489 -7.624 1.00 0.00 N ATOM 285 CA VAL A 18 -13.397 4.663 -9.064 1.00 0.00 C ATOM 286 C VAL A 18 -12.820 3.354 -9.616 1.00 0.00 C ATOM 287 O VAL A 18 -13.419 2.684 -10.439 1.00 0.00 O ATOM 288 CB VAL A 18 -12.340 5.766 -9.178 1.00 0.00 C ATOM 289 CG1 VAL A 18 -11.688 5.717 -10.564 1.00 0.00 C ATOM 290 CG2 VAL A 18 -13.005 7.130 -8.979 1.00 0.00 C ATOM 0 H VAL A 18 -13.561 5.297 -7.030 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.287 4.931 -9.633 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.577 5.614 -8.414 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.937 6.503 -10.641 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.214 4.746 -10.709 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.449 5.867 -11.330 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.254 7.916 -9.060 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.768 7.277 -9.743 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -13.467 7.169 -7.992 1.00 0.00 H new ATOM 300 N LEU A 19 -11.655 2.992 -9.157 1.00 0.00 N ATOM 301 CA LEU A 19 -11.011 1.739 -9.635 1.00 0.00 C ATOM 302 C LEU A 19 -11.938 0.542 -9.410 1.00 0.00 C ATOM 303 O LEU A 19 -12.589 0.083 -10.316 1.00 0.00 O ATOM 304 CB LEU A 19 -9.705 1.522 -8.869 1.00 0.00 C ATOM 305 CG LEU A 19 -8.525 1.628 -9.834 1.00 0.00 C ATOM 306 CD1 LEU A 19 -7.330 2.260 -9.115 1.00 0.00 C ATOM 307 CD2 LEU A 19 -8.142 0.229 -10.325 1.00 0.00 C ATOM 0 H LEU A 19 -11.118 3.515 -8.466 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.808 1.829 -10.702 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.608 2.264 -8.076 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.710 0.543 -8.390 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.806 2.249 -10.684 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.489 2.335 -9.804 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.602 3.256 -8.764 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.048 1.640 -8.264 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.300 0.303 -11.014 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -7.861 -0.391 -9.474 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -8.992 -0.222 -10.838 1.00 0.00 H new ATOM 319 N GLU A 20 -11.963 0.014 -8.217 1.00 0.00 N ATOM 320 CA GLU A 20 -12.810 -1.187 -7.922 1.00 0.00 C ATOM 321 C GLU A 20 -14.136 -1.157 -8.691 1.00 0.00 C ATOM 322 O GLU A 20 -14.399 -2.018 -9.498 1.00 0.00 O ATOM 323 CB GLU A 20 -13.105 -1.227 -6.422 1.00 0.00 C ATOM 324 CG GLU A 20 -13.986 -2.437 -6.105 1.00 0.00 C ATOM 325 CD GLU A 20 -13.338 -3.262 -4.992 1.00 0.00 C ATOM 326 OE1 GLU A 20 -12.710 -2.669 -4.130 1.00 0.00 O ATOM 327 OE2 GLU A 20 -13.482 -4.473 -5.020 1.00 0.00 O ATOM 0 H GLU A 20 -11.428 0.364 -7.422 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.260 -2.074 -8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.173 -1.285 -5.859 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.606 -0.309 -6.115 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.978 -2.107 -5.797 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.116 -3.049 -6.997 1.00 0.00 H new ATOM 334 N ARG A 21 -14.986 -0.203 -8.421 1.00 0.00 N ATOM 335 CA ARG A 21 -16.306 -0.158 -9.123 1.00 0.00 C ATOM 336 C ARG A 21 -16.135 -0.537 -10.600 1.00 0.00 C ATOM 337 O ARG A 21 -16.905 -1.309 -11.137 1.00 0.00 O ATOM 338 CB ARG A 21 -16.933 1.241 -8.977 1.00 0.00 C ATOM 339 CG ARG A 21 -16.426 2.186 -10.069 1.00 0.00 C ATOM 340 CD ARG A 21 -17.230 1.968 -11.352 1.00 0.00 C ATOM 341 NE ARG A 21 -18.098 3.153 -11.599 1.00 0.00 N ATOM 342 CZ ARG A 21 -18.715 3.288 -12.743 1.00 0.00 C ATOM 343 NH1 ARG A 21 -18.089 3.806 -13.764 1.00 0.00 N ATOM 344 NH2 ARG A 21 -19.958 2.907 -12.864 1.00 0.00 N ATOM 0 H ARG A 21 -14.826 0.546 -7.747 1.00 0.00 H new ATOM 0 HA ARG A 21 -16.980 -0.883 -8.666 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -18.019 1.164 -9.033 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -16.692 1.651 -7.996 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -16.520 3.221 -9.741 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.367 2.006 -10.257 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -16.556 1.815 -12.195 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -17.840 1.069 -11.264 1.00 0.00 H new ATOM 0 HE ARG A 21 -18.211 3.861 -10.873 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -17.119 4.105 -13.669 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.570 3.912 -14.657 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -20.448 2.504 -12.065 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -20.439 3.013 -13.757 1.00 0.00 H new ATOM 358 N ALA A 22 -15.127 -0.034 -11.260 1.00 0.00 N ATOM 359 CA ALA A 22 -14.923 -0.414 -12.686 1.00 0.00 C ATOM 360 C ALA A 22 -14.442 -1.868 -12.739 1.00 0.00 C ATOM 361 O ALA A 22 -14.839 -2.642 -13.587 1.00 0.00 O ATOM 362 CB ALA A 22 -13.868 0.497 -13.316 1.00 0.00 C ATOM 0 H ALA A 22 -14.442 0.618 -10.877 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.858 -0.308 -13.237 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.721 0.216 -14.359 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.203 1.533 -13.263 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.927 0.392 -12.776 1.00 0.00 H new ATOM 368 N LEU A 23 -13.587 -2.234 -11.824 1.00 0.00 N ATOM 369 CA LEU A 23 -13.056 -3.623 -11.779 1.00 0.00 C ATOM 370 C LEU A 23 -14.163 -4.596 -11.355 1.00 0.00 C ATOM 371 O LEU A 23 -13.980 -5.798 -11.358 1.00 0.00 O ATOM 372 CB LEU A 23 -11.905 -3.681 -10.767 1.00 0.00 C ATOM 373 CG LEU A 23 -10.651 -4.211 -11.467 1.00 0.00 C ATOM 374 CD1 LEU A 23 -10.329 -3.326 -12.673 1.00 0.00 C ATOM 375 CD2 LEU A 23 -9.469 -4.192 -10.496 1.00 0.00 C ATOM 0 H LEU A 23 -13.229 -1.618 -11.094 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.698 -3.908 -12.768 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.716 -2.690 -10.355 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.171 -4.328 -9.931 1.00 0.00 H new ATOM 0 HG LEU A 23 -10.830 -5.234 -11.799 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -9.436 -3.702 -13.172 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.168 -3.341 -13.369 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.154 -2.304 -12.338 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.579 -4.570 -10.999 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.290 -3.170 -10.161 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.695 -4.822 -9.636 1.00 0.00 H new ATOM 387 N ALA A 24 -15.312 -4.089 -10.989 1.00 0.00 N ATOM 388 CA ALA A 24 -16.421 -4.989 -10.571 1.00 0.00 C ATOM 389 C ALA A 24 -17.092 -5.565 -11.817 1.00 0.00 C ATOM 390 O ALA A 24 -17.545 -6.692 -11.827 1.00 0.00 O ATOM 391 CB ALA A 24 -17.445 -4.195 -9.757 1.00 0.00 C ATOM 0 H ALA A 24 -15.527 -3.092 -10.962 1.00 0.00 H new ATOM 0 HA ALA A 24 -16.027 -5.800 -9.958 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -18.257 -4.855 -9.451 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -16.963 -3.779 -8.872 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -17.846 -3.385 -10.367 1.00 0.00 H new ATOM 397 N GLY A 25 -17.153 -4.799 -12.873 1.00 0.00 N ATOM 398 CA GLY A 25 -17.785 -5.305 -14.123 1.00 0.00 C ATOM 399 C GLY A 25 -16.928 -6.435 -14.691 1.00 0.00 C ATOM 400 O GLY A 25 -17.415 -7.325 -15.360 1.00 0.00 O ATOM 0 H GLY A 25 -16.793 -3.846 -12.923 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -18.793 -5.664 -13.916 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -17.877 -4.499 -14.851 1.00 0.00 H new ATOM 404 N ALA A 26 -15.651 -6.409 -14.423 1.00 0.00 N ATOM 405 CA ALA A 26 -14.759 -7.484 -14.937 1.00 0.00 C ATOM 406 C ALA A 26 -14.617 -8.573 -13.872 1.00 0.00 C ATOM 407 O ALA A 26 -13.910 -9.543 -14.055 1.00 0.00 O ATOM 408 CB ALA A 26 -13.381 -6.899 -15.253 1.00 0.00 C ATOM 0 H ALA A 26 -15.187 -5.688 -13.870 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.187 -7.911 -15.844 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -12.729 -7.687 -15.629 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -13.481 -6.119 -16.008 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.950 -6.473 -14.347 1.00 0.00 H new ATOM 414 N GLY A 27 -15.282 -8.420 -12.759 1.00 0.00 N ATOM 415 CA GLY A 27 -15.182 -9.446 -11.684 1.00 0.00 C ATOM 416 C GLY A 27 -13.713 -9.660 -11.318 1.00 0.00 C ATOM 417 O GLY A 27 -13.126 -10.675 -11.637 1.00 0.00 O ATOM 0 H GLY A 27 -15.890 -7.629 -12.548 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.743 -9.125 -10.807 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.625 -10.384 -12.020 1.00 0.00 H new ATOM 421 N LEU A 28 -13.110 -8.713 -10.651 1.00 0.00 N ATOM 422 CA LEU A 28 -11.679 -8.874 -10.271 1.00 0.00 C ATOM 423 C LEU A 28 -11.480 -8.483 -8.813 1.00 0.00 C ATOM 424 O LEU A 28 -12.401 -8.107 -8.116 1.00 0.00 O ATOM 425 CB LEU A 28 -10.808 -7.973 -11.143 1.00 0.00 C ATOM 426 CG LEU A 28 -9.470 -8.654 -11.435 1.00 0.00 C ATOM 427 CD1 LEU A 28 -9.524 -9.320 -12.813 1.00 0.00 C ATOM 428 CD2 LEU A 28 -8.360 -7.601 -11.422 1.00 0.00 C ATOM 0 H LEU A 28 -13.545 -7.839 -10.354 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.396 -9.917 -10.414 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.323 -7.751 -12.078 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.638 -7.021 -10.639 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.270 -9.411 -10.676 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.570 -9.805 -13.020 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.320 -10.064 -12.826 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.720 -8.565 -13.574 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -7.403 -8.079 -11.629 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.563 -6.849 -12.185 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.323 -7.124 -10.443 1.00 0.00 H new ATOM 440 N THR A 29 -10.270 -8.576 -8.357 1.00 0.00 N ATOM 441 CA THR A 29 -9.963 -8.220 -6.944 1.00 0.00 C ATOM 442 C THR A 29 -9.319 -6.834 -6.909 1.00 0.00 C ATOM 443 O THR A 29 -8.108 -6.695 -6.916 1.00 0.00 O ATOM 444 CB THR A 29 -9.004 -9.258 -6.359 1.00 0.00 C ATOM 445 OG1 THR A 29 -9.680 -10.503 -6.238 1.00 0.00 O ATOM 446 CG2 THR A 29 -8.528 -8.801 -4.980 1.00 0.00 C ATOM 0 H THR A 29 -9.468 -8.887 -8.906 1.00 0.00 H new ATOM 0 HA THR A 29 -10.879 -8.208 -6.353 1.00 0.00 H new ATOM 0 HB THR A 29 -8.143 -9.369 -7.017 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.127 -11.127 -5.722 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.845 -9.543 -4.566 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.013 -7.845 -5.071 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.386 -8.689 -4.318 1.00 0.00 H new ATOM 454 N CYS A 30 -10.123 -5.806 -6.901 1.00 0.00 N ATOM 455 CA CYS A 30 -9.581 -4.426 -6.894 1.00 0.00 C ATOM 456 C CYS A 30 -9.453 -3.905 -5.464 1.00 0.00 C ATOM 457 O CYS A 30 -10.362 -3.295 -4.935 1.00 0.00 O ATOM 458 CB CYS A 30 -10.548 -3.531 -7.656 1.00 0.00 C ATOM 459 SG CYS A 30 -9.775 -1.922 -7.960 1.00 0.00 S ATOM 0 H CYS A 30 -11.141 -5.868 -6.899 1.00 0.00 H new ATOM 0 HA CYS A 30 -8.594 -4.424 -7.358 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -10.823 -3.998 -8.602 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -11.467 -3.402 -7.085 1.00 0.00 H new ATOM 0 HG CYS A 30 -10.143 -1.477 -9.125 1.00 0.00 H new ATOM 465 N THR A 31 -8.326 -4.104 -4.844 1.00 0.00 N ATOM 466 CA THR A 31 -8.149 -3.577 -3.464 1.00 0.00 C ATOM 467 C THR A 31 -7.407 -2.248 -3.566 1.00 0.00 C ATOM 468 O THR A 31 -6.493 -2.104 -4.350 1.00 0.00 O ATOM 469 CB THR A 31 -7.338 -4.563 -2.621 1.00 0.00 C ATOM 470 OG1 THR A 31 -7.423 -5.860 -3.195 1.00 0.00 O ATOM 471 CG2 THR A 31 -7.897 -4.590 -1.196 1.00 0.00 C ATOM 0 H THR A 31 -7.525 -4.605 -5.229 1.00 0.00 H new ATOM 0 HA THR A 31 -9.118 -3.439 -2.985 1.00 0.00 H new ATOM 0 HB THR A 31 -6.294 -4.250 -2.595 1.00 0.00 H new ATOM 0 HG1 THR A 31 -6.902 -6.491 -2.656 1.00 0.00 H new ATOM 0 HG21 THR A 31 -7.321 -5.292 -0.593 1.00 0.00 H new ATOM 0 HG22 THR A 31 -7.828 -3.594 -0.759 1.00 0.00 H new ATOM 0 HG23 THR A 31 -8.941 -4.904 -1.220 1.00 0.00 H new ATOM 479 N THR A 32 -7.793 -1.264 -2.806 1.00 0.00 N ATOM 480 CA THR A 32 -7.093 0.044 -2.909 1.00 0.00 C ATOM 481 C THR A 32 -7.042 0.737 -1.550 1.00 0.00 C ATOM 482 O THR A 32 -8.024 0.813 -0.839 1.00 0.00 O ATOM 483 CB THR A 32 -7.832 0.940 -3.903 1.00 0.00 C ATOM 484 OG1 THR A 32 -8.879 1.622 -3.230 1.00 0.00 O ATOM 485 CG2 THR A 32 -8.418 0.083 -5.027 1.00 0.00 C ATOM 0 H THR A 32 -8.553 -1.307 -2.127 1.00 0.00 H new ATOM 0 HA THR A 32 -6.074 -0.134 -3.252 1.00 0.00 H new ATOM 0 HB THR A 32 -7.138 1.665 -4.328 1.00 0.00 H new ATOM 0 HG1 THR A 32 -8.657 2.574 -3.160 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.945 0.723 -5.735 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.613 -0.442 -5.541 1.00 0.00 H new ATOM 0 HG23 THR A 32 -9.114 -0.643 -4.606 1.00 0.00 H new ATOM 493 N PHE A 33 -5.900 1.258 -1.197 1.00 0.00 N ATOM 494 CA PHE A 33 -5.767 1.968 0.103 1.00 0.00 C ATOM 495 C PHE A 33 -5.631 3.467 -0.183 1.00 0.00 C ATOM 496 O PHE A 33 -6.028 3.938 -1.228 1.00 0.00 O ATOM 497 CB PHE A 33 -4.528 1.443 0.843 1.00 0.00 C ATOM 498 CG PHE A 33 -4.864 0.148 1.558 1.00 0.00 C ATOM 499 CD1 PHE A 33 -6.082 -0.503 1.313 1.00 0.00 C ATOM 500 CD2 PHE A 33 -3.950 -0.404 2.464 1.00 0.00 C ATOM 501 CE1 PHE A 33 -6.383 -1.701 1.972 1.00 0.00 C ATOM 502 CE2 PHE A 33 -4.253 -1.602 3.123 1.00 0.00 C ATOM 503 CZ PHE A 33 -5.469 -2.250 2.876 1.00 0.00 C ATOM 0 H PHE A 33 -5.049 1.222 -1.758 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.641 1.795 0.731 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.714 1.278 0.137 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.181 2.186 1.561 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.789 -0.079 0.615 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.011 0.094 2.655 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -7.321 -2.201 1.782 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.548 -2.026 3.822 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.701 -3.174 3.384 1.00 0.00 H new ATOM 513 N GLU A 34 -5.097 4.230 0.728 1.00 0.00 N ATOM 514 CA GLU A 34 -4.964 5.692 0.479 1.00 0.00 C ATOM 515 C GLU A 34 -3.491 6.099 0.584 1.00 0.00 C ATOM 516 O GLU A 34 -3.036 7.000 -0.092 1.00 0.00 O ATOM 517 CB GLU A 34 -5.771 6.458 1.530 1.00 0.00 C ATOM 518 CG GLU A 34 -5.105 6.303 2.898 1.00 0.00 C ATOM 519 CD GLU A 34 -6.159 6.447 3.998 1.00 0.00 C ATOM 520 OE1 GLU A 34 -6.847 7.455 4.000 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.261 5.549 4.816 1.00 0.00 O ATOM 0 H GLU A 34 -4.748 3.907 1.630 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.337 5.925 -0.518 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.831 7.512 1.260 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.793 6.080 1.566 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.620 5.330 2.970 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.328 7.057 3.023 1.00 0.00 H new ATOM 528 N ASN A 35 -2.742 5.450 1.436 1.00 0.00 N ATOM 529 CA ASN A 35 -1.304 5.812 1.589 1.00 0.00 C ATOM 530 C ASN A 35 -0.423 4.633 1.167 1.00 0.00 C ATOM 531 O ASN A 35 -0.539 3.535 1.684 1.00 0.00 O ATOM 532 CB ASN A 35 -1.022 6.166 3.049 1.00 0.00 C ATOM 533 CG ASN A 35 -1.690 7.501 3.382 1.00 0.00 C ATOM 534 OD1 ASN A 35 -1.315 8.581 2.751 1.00 0.00 O flip ATOM 535 ND2 ASN A 35 -2.563 7.563 4.224 1.00 0.00 N flip ATOM 0 H ASN A 35 -3.064 4.687 2.031 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.079 6.670 0.955 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.401 5.383 3.705 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.053 6.231 3.219 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.857 6.720 4.717 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -3.003 8.458 4.438 1.00 0.00 H new ATOM 542 N GLY A 36 0.454 4.855 0.224 1.00 0.00 N ATOM 543 CA GLY A 36 1.347 3.758 -0.249 1.00 0.00 C ATOM 544 C GLY A 36 1.838 2.944 0.945 1.00 0.00 C ATOM 545 O GLY A 36 1.980 1.742 0.867 1.00 0.00 O ATOM 0 H GLY A 36 0.590 5.753 -0.241 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.810 3.113 -0.945 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.196 4.175 -0.791 1.00 0.00 H new ATOM 549 N ASN A 37 2.093 3.583 2.054 1.00 0.00 N ATOM 550 CA ASN A 37 2.562 2.829 3.248 1.00 0.00 C ATOM 551 C ASN A 37 1.465 1.851 3.665 1.00 0.00 C ATOM 552 O ASN A 37 1.665 0.653 3.686 1.00 0.00 O ATOM 553 CB ASN A 37 2.841 3.800 4.398 1.00 0.00 C ATOM 554 CG ASN A 37 4.113 3.370 5.131 1.00 0.00 C ATOM 555 OD1 ASN A 37 4.177 2.285 5.675 1.00 0.00 O ATOM 556 ND2 ASN A 37 5.134 4.181 5.169 1.00 0.00 N ATOM 0 H ASN A 37 1.997 4.590 2.184 1.00 0.00 H new ATOM 0 HA ASN A 37 3.479 2.290 3.009 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.955 4.813 4.013 1.00 0.00 H new ATOM 0 HB3 ASN A 37 1.998 3.815 5.089 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.987 3.905 5.655 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.079 5.091 4.712 1.00 0.00 H new ATOM 563 N GLU A 38 0.311 2.365 4.013 1.00 0.00 N ATOM 564 CA GLU A 38 -0.822 1.490 4.443 1.00 0.00 C ATOM 565 C GLU A 38 -0.808 0.188 3.639 1.00 0.00 C ATOM 566 O GLU A 38 -0.856 -0.897 4.186 1.00 0.00 O ATOM 567 CB GLU A 38 -2.142 2.221 4.183 1.00 0.00 C ATOM 568 CG GLU A 38 -3.179 1.800 5.227 1.00 0.00 C ATOM 569 CD GLU A 38 -2.935 2.567 6.528 1.00 0.00 C ATOM 570 OE1 GLU A 38 -2.310 3.613 6.467 1.00 0.00 O ATOM 571 OE2 GLU A 38 -3.377 2.097 7.562 1.00 0.00 O ATOM 0 H GLU A 38 0.104 3.364 4.017 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.720 1.261 5.504 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.986 3.299 4.225 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.506 1.990 3.182 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.185 2.001 4.857 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.114 0.727 5.407 1.00 0.00 H new ATOM 578 N VAL A 39 -0.740 0.293 2.338 1.00 0.00 N ATOM 579 CA VAL A 39 -0.719 -0.928 1.486 1.00 0.00 C ATOM 580 C VAL A 39 0.548 -1.726 1.795 1.00 0.00 C ATOM 581 O VAL A 39 0.515 -2.931 1.939 1.00 0.00 O ATOM 582 CB VAL A 39 -0.749 -0.492 0.008 1.00 0.00 C ATOM 583 CG1 VAL A 39 -0.003 -1.484 -0.896 1.00 0.00 C ATOM 584 CG2 VAL A 39 -2.202 -0.408 -0.452 1.00 0.00 C ATOM 0 H VAL A 39 -0.698 1.176 1.829 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.584 -1.560 1.687 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.254 0.476 -0.068 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.048 -1.140 -1.929 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.038 -1.551 -0.581 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.469 -2.466 -0.820 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.236 -0.100 -1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.674 -1.385 -0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.735 0.321 0.158 1.00 0.00 H new ATOM 594 N LEU A 40 1.662 -1.068 1.890 1.00 0.00 N ATOM 595 CA LEU A 40 2.927 -1.792 2.180 1.00 0.00 C ATOM 596 C LEU A 40 3.001 -2.111 3.674 1.00 0.00 C ATOM 597 O LEU A 40 3.978 -2.651 4.156 1.00 0.00 O ATOM 598 CB LEU A 40 4.112 -0.916 1.755 1.00 0.00 C ATOM 599 CG LEU A 40 4.291 -0.920 0.216 1.00 0.00 C ATOM 600 CD1 LEU A 40 3.202 -1.743 -0.485 1.00 0.00 C ATOM 601 CD2 LEU A 40 4.232 0.522 -0.292 1.00 0.00 C ATOM 0 H LEU A 40 1.754 -0.058 1.780 1.00 0.00 H new ATOM 0 HA LEU A 40 2.960 -2.729 1.624 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.955 0.105 2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.024 -1.278 2.230 1.00 0.00 H new ATOM 0 HG LEU A 40 5.254 -1.376 -0.012 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.365 -1.719 -1.562 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.243 -2.774 -0.134 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.223 -1.321 -0.257 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.357 0.532 -1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.268 0.959 -0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.029 1.104 0.170 1.00 0.00 H new ATOM 613 N ALA A 41 1.966 -1.801 4.408 1.00 0.00 N ATOM 614 CA ALA A 41 1.959 -2.106 5.863 1.00 0.00 C ATOM 615 C ALA A 41 1.078 -3.333 6.094 1.00 0.00 C ATOM 616 O ALA A 41 1.218 -4.042 7.070 1.00 0.00 O ATOM 617 CB ALA A 41 1.390 -0.915 6.638 1.00 0.00 C ATOM 0 H ALA A 41 1.122 -1.347 4.058 1.00 0.00 H new ATOM 0 HA ALA A 41 2.974 -2.300 6.209 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.387 -1.143 7.704 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.007 -0.035 6.457 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.371 -0.718 6.306 1.00 0.00 H new ATOM 623 N ALA A 42 0.170 -3.590 5.188 1.00 0.00 N ATOM 624 CA ALA A 42 -0.725 -4.773 5.334 1.00 0.00 C ATOM 625 C ALA A 42 -0.171 -5.927 4.497 1.00 0.00 C ATOM 626 O ALA A 42 -0.295 -7.083 4.853 1.00 0.00 O ATOM 627 CB ALA A 42 -2.128 -4.415 4.839 1.00 0.00 C ATOM 0 H ALA A 42 0.011 -3.029 4.351 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.775 -5.068 6.382 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.783 -5.280 4.945 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.522 -3.587 5.428 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.080 -4.123 3.790 1.00 0.00 H new ATOM 633 N LEU A 43 0.445 -5.620 3.390 1.00 0.00 N ATOM 634 CA LEU A 43 1.017 -6.687 2.525 1.00 0.00 C ATOM 635 C LEU A 43 2.148 -7.390 3.277 1.00 0.00 C ATOM 636 O LEU A 43 2.624 -8.432 2.871 1.00 0.00 O ATOM 637 CB LEU A 43 1.572 -6.041 1.254 1.00 0.00 C ATOM 638 CG LEU A 43 0.471 -5.920 0.198 1.00 0.00 C ATOM 639 CD1 LEU A 43 0.209 -7.285 -0.428 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.811 -5.415 0.852 1.00 0.00 C ATOM 0 H LEU A 43 0.577 -4.669 3.046 1.00 0.00 H new ATOM 0 HA LEU A 43 0.248 -7.415 2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.975 -5.055 1.485 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.396 -6.638 0.864 1.00 0.00 H new ATOM 0 HG LEU A 43 0.790 -5.219 -0.573 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.575 -7.196 -1.180 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.122 -7.651 -0.898 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.107 -7.985 0.345 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.594 -5.329 0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.126 -6.116 1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.630 -4.438 1.300 1.00 0.00 H new ATOM 652 N ALA A 44 2.582 -6.821 4.370 1.00 0.00 N ATOM 653 CA ALA A 44 3.684 -7.441 5.159 1.00 0.00 C ATOM 654 C ALA A 44 3.503 -8.960 5.216 1.00 0.00 C ATOM 655 O ALA A 44 4.460 -9.706 5.275 1.00 0.00 O ATOM 656 CB ALA A 44 3.666 -6.879 6.581 1.00 0.00 C ATOM 0 H ALA A 44 2.218 -5.948 4.752 1.00 0.00 H new ATOM 0 HA ALA A 44 4.636 -7.212 4.680 1.00 0.00 H new ATOM 0 HB1 ALA A 44 4.471 -7.331 7.161 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.805 -5.798 6.547 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.709 -7.107 7.050 1.00 0.00 H new ATOM 662 N SER A 45 2.285 -9.427 5.204 1.00 0.00 N ATOM 663 CA SER A 45 2.054 -10.897 5.262 1.00 0.00 C ATOM 664 C SER A 45 2.405 -11.525 3.914 1.00 0.00 C ATOM 665 O SER A 45 3.216 -12.427 3.830 1.00 0.00 O ATOM 666 CB SER A 45 0.585 -11.172 5.583 1.00 0.00 C ATOM 667 OG SER A 45 -0.224 -10.708 4.510 1.00 0.00 O ATOM 0 H SER A 45 1.442 -8.855 5.157 1.00 0.00 H new ATOM 0 HA SER A 45 2.684 -11.330 6.039 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.428 -12.240 5.737 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.303 -10.671 6.509 1.00 0.00 H new ATOM 0 HG SER A 45 -1.167 -10.884 4.711 1.00 0.00 H new ATOM 673 N LYS A 46 1.801 -11.060 2.855 1.00 0.00 N ATOM 674 CA LYS A 46 2.100 -11.636 1.516 1.00 0.00 C ATOM 675 C LYS A 46 1.376 -10.831 0.436 1.00 0.00 C ATOM 676 O LYS A 46 0.344 -10.238 0.678 1.00 0.00 O ATOM 677 CB LYS A 46 1.620 -13.087 1.469 1.00 0.00 C ATOM 678 CG LYS A 46 2.822 -14.019 1.324 1.00 0.00 C ATOM 679 CD LYS A 46 2.935 -14.479 -0.131 1.00 0.00 C ATOM 680 CE LYS A 46 4.313 -14.107 -0.681 1.00 0.00 C ATOM 681 NZ LYS A 46 4.355 -14.385 -2.145 1.00 0.00 N ATOM 0 H LYS A 46 1.114 -10.306 2.860 1.00 0.00 H new ATOM 0 HA LYS A 46 3.175 -11.597 1.339 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.068 -13.328 2.377 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.935 -13.227 0.633 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.734 -13.504 1.626 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.710 -14.881 1.982 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.786 -15.557 -0.195 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.154 -14.013 -0.732 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.519 -13.053 -0.494 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.087 -14.679 -0.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.292 -14.132 -2.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 4.177 -15.396 -2.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.626 -13.821 -2.627 1.00 0.00 H new ATOM 695 N THR A 47 1.903 -10.813 -0.757 1.00 0.00 N ATOM 696 CA THR A 47 1.237 -10.054 -1.850 1.00 0.00 C ATOM 697 C THR A 47 0.361 -11.012 -2.656 1.00 0.00 C ATOM 698 O THR A 47 0.412 -12.208 -2.452 1.00 0.00 O ATOM 699 CB THR A 47 2.293 -9.425 -2.753 1.00 0.00 C ATOM 700 OG1 THR A 47 3.553 -10.007 -2.461 1.00 0.00 O ATOM 701 CG2 THR A 47 2.355 -7.918 -2.497 1.00 0.00 C ATOM 0 H THR A 47 2.765 -11.291 -1.021 1.00 0.00 H new ATOM 0 HA THR A 47 0.618 -9.262 -1.429 1.00 0.00 H new ATOM 0 HB THR A 47 2.037 -9.601 -3.798 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.547 -10.951 -2.725 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.110 -7.470 -3.143 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.384 -7.472 -2.711 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.616 -7.736 -1.454 1.00 0.00 H new ATOM 709 N PRO A 48 -0.429 -10.461 -3.538 1.00 0.00 N ATOM 710 CA PRO A 48 -1.301 -11.361 -4.319 1.00 0.00 C ATOM 711 C PRO A 48 -1.015 -11.258 -5.824 1.00 0.00 C ATOM 712 O PRO A 48 -0.553 -12.205 -6.428 1.00 0.00 O ATOM 713 CB PRO A 48 -2.717 -10.895 -3.995 1.00 0.00 C ATOM 714 CG PRO A 48 -2.595 -9.430 -3.546 1.00 0.00 C ATOM 715 CD PRO A 48 -1.139 -9.231 -3.105 1.00 0.00 C ATOM 0 HA PRO A 48 -1.140 -12.408 -4.064 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.364 -10.982 -4.868 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.158 -11.508 -3.209 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -2.850 -8.752 -4.360 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.281 -9.217 -2.727 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.706 -8.343 -3.566 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.070 -9.096 -2.026 1.00 0.00 H new ATOM 723 N ASP A 49 -1.305 -10.142 -6.457 1.00 0.00 N ATOM 724 CA ASP A 49 -1.054 -10.065 -7.925 1.00 0.00 C ATOM 725 C ASP A 49 -0.114 -8.905 -8.281 1.00 0.00 C ATOM 726 O ASP A 49 1.052 -9.107 -8.555 1.00 0.00 O ATOM 727 CB ASP A 49 -2.388 -9.877 -8.644 1.00 0.00 C ATOM 728 CG ASP A 49 -2.704 -11.125 -9.468 1.00 0.00 C ATOM 729 OD1 ASP A 49 -2.248 -12.192 -9.089 1.00 0.00 O ATOM 730 OD2 ASP A 49 -3.396 -10.994 -10.463 1.00 0.00 O ATOM 0 H ASP A 49 -1.695 -9.303 -6.028 1.00 0.00 H new ATOM 0 HA ASP A 49 -0.573 -10.991 -8.240 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.182 -9.697 -7.919 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.344 -9.002 -9.292 1.00 0.00 H new ATOM 735 N VAL A 50 -0.613 -7.697 -8.315 1.00 0.00 N ATOM 736 CA VAL A 50 0.264 -6.544 -8.696 1.00 0.00 C ATOM 737 C VAL A 50 -0.023 -5.335 -7.806 1.00 0.00 C ATOM 738 O VAL A 50 -1.149 -5.058 -7.450 1.00 0.00 O ATOM 739 CB VAL A 50 0.003 -6.182 -10.165 1.00 0.00 C ATOM 740 CG1 VAL A 50 0.413 -4.731 -10.446 1.00 0.00 C ATOM 741 CG2 VAL A 50 0.819 -7.115 -11.055 1.00 0.00 C ATOM 0 H VAL A 50 -1.580 -7.457 -8.098 1.00 0.00 H new ATOM 0 HA VAL A 50 1.308 -6.828 -8.563 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.061 -6.290 -10.373 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.220 -4.495 -11.492 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.164 -4.060 -9.810 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.475 -4.606 -10.236 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.641 -6.867 -12.101 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.879 -6.998 -10.829 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.520 -8.147 -10.871 1.00 0.00 H new ATOM 751 N LEU A 51 0.999 -4.619 -7.435 1.00 0.00 N ATOM 752 CA LEU A 51 0.792 -3.434 -6.552 1.00 0.00 C ATOM 753 C LEU A 51 0.956 -2.141 -7.353 1.00 0.00 C ATOM 754 O LEU A 51 1.875 -2.003 -8.130 1.00 0.00 O ATOM 755 CB LEU A 51 1.833 -3.466 -5.435 1.00 0.00 C ATOM 756 CG LEU A 51 1.127 -3.392 -4.081 1.00 0.00 C ATOM 757 CD1 LEU A 51 0.384 -2.060 -3.967 1.00 0.00 C ATOM 758 CD2 LEU A 51 0.138 -4.555 -3.945 1.00 0.00 C ATOM 0 H LEU A 51 1.967 -4.800 -7.702 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.215 -3.467 -6.135 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.424 -4.379 -5.500 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.524 -2.630 -5.543 1.00 0.00 H new ATOM 0 HG LEU A 51 1.866 -3.462 -3.283 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.120 -2.006 -3.002 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.095 -1.238 -4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.354 -1.985 -4.766 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.362 -4.496 -2.978 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.604 -4.496 -4.741 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.676 -5.500 -4.019 1.00 0.00 H new ATOM 770 N LEU A 52 0.080 -1.186 -7.161 1.00 0.00 N ATOM 771 CA LEU A 52 0.211 0.099 -7.910 1.00 0.00 C ATOM 772 C LEU A 52 0.472 1.243 -6.927 1.00 0.00 C ATOM 773 O LEU A 52 0.079 1.192 -5.778 1.00 0.00 O ATOM 774 CB LEU A 52 -1.078 0.390 -8.686 1.00 0.00 C ATOM 775 CG LEU A 52 -1.565 -0.862 -9.426 1.00 0.00 C ATOM 776 CD1 LEU A 52 -2.512 -0.440 -10.551 1.00 0.00 C ATOM 777 CD2 LEU A 52 -0.382 -1.625 -10.026 1.00 0.00 C ATOM 0 H LEU A 52 -0.714 -1.241 -6.523 1.00 0.00 H new ATOM 0 HA LEU A 52 1.043 0.015 -8.609 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.851 0.735 -7.999 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.904 1.195 -9.400 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.081 -1.512 -8.720 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.863 -1.325 -11.082 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.365 0.092 -10.129 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.984 0.214 -11.245 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.747 -2.510 -10.547 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.147 -0.982 -10.729 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.298 -1.927 -9.229 1.00 0.00 H new ATOM 789 N SER A 53 1.131 2.279 -7.375 1.00 0.00 N ATOM 790 CA SER A 53 1.419 3.429 -6.473 1.00 0.00 C ATOM 791 C SER A 53 0.676 4.672 -6.970 1.00 0.00 C ATOM 792 O SER A 53 0.799 5.068 -8.116 1.00 0.00 O ATOM 793 CB SER A 53 2.923 3.705 -6.467 1.00 0.00 C ATOM 794 OG SER A 53 3.148 5.081 -6.188 1.00 0.00 O ATOM 0 H SER A 53 1.482 2.377 -8.328 1.00 0.00 H new ATOM 0 HA SER A 53 1.087 3.189 -5.463 1.00 0.00 H new ATOM 0 HB2 SER A 53 3.415 3.085 -5.717 1.00 0.00 H new ATOM 0 HB3 SER A 53 3.356 3.442 -7.432 1.00 0.00 H new ATOM 0 HG SER A 53 3.640 5.168 -5.345 1.00 0.00 H new ATOM 800 N ASP A 54 -0.098 5.289 -6.115 1.00 0.00 N ATOM 801 CA ASP A 54 -0.856 6.504 -6.529 1.00 0.00 C ATOM 802 C ASP A 54 0.115 7.635 -6.879 1.00 0.00 C ATOM 803 O ASP A 54 1.303 7.430 -7.033 1.00 0.00 O ATOM 804 CB ASP A 54 -1.739 6.963 -5.367 1.00 0.00 C ATOM 805 CG ASP A 54 -0.886 7.104 -4.106 1.00 0.00 C ATOM 806 OD1 ASP A 54 0.327 7.044 -4.225 1.00 0.00 O ATOM 807 OD2 ASP A 54 -1.459 7.269 -3.042 1.00 0.00 O ATOM 0 H ASP A 54 -0.237 5.002 -5.146 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.465 6.263 -7.400 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.211 7.915 -5.609 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.541 6.244 -5.199 1.00 0.00 H new ATOM 812 N ILE A 55 -0.394 8.831 -6.995 1.00 0.00 N ATOM 813 CA ILE A 55 0.472 9.998 -7.323 1.00 0.00 C ATOM 814 C ILE A 55 -0.397 11.258 -7.364 1.00 0.00 C ATOM 815 O ILE A 55 -0.164 12.164 -8.140 1.00 0.00 O ATOM 816 CB ILE A 55 1.133 9.777 -8.686 1.00 0.00 C ATOM 817 CG1 ILE A 55 2.285 10.771 -8.860 1.00 0.00 C ATOM 818 CG2 ILE A 55 0.103 9.985 -9.801 1.00 0.00 C ATOM 819 CD1 ILE A 55 3.483 10.059 -9.493 1.00 0.00 C ATOM 0 H ILE A 55 -1.383 9.051 -6.875 1.00 0.00 H new ATOM 0 HA ILE A 55 1.249 10.112 -6.567 1.00 0.00 H new ATOM 0 HB ILE A 55 1.519 8.759 -8.740 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.969 11.603 -9.489 1.00 0.00 H new ATOM 0 HG13 ILE A 55 2.567 11.190 -7.894 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.578 9.827 -10.769 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.715 9.275 -9.678 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.288 11.001 -9.750 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.303 10.766 -9.617 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.803 9.242 -8.847 1.00 0.00 H new ATOM 0 HD13 ILE A 55 3.197 9.661 -10.467 1.00 0.00 H new ATOM 831 N ARG A 56 -1.405 11.318 -6.534 1.00 0.00 N ATOM 832 CA ARG A 56 -2.300 12.511 -6.525 1.00 0.00 C ATOM 833 C ARG A 56 -2.472 13.016 -5.089 1.00 0.00 C ATOM 834 O ARG A 56 -3.258 13.905 -4.824 1.00 0.00 O ATOM 835 CB ARG A 56 -3.666 12.115 -7.096 1.00 0.00 C ATOM 836 CG ARG A 56 -4.676 13.238 -6.848 1.00 0.00 C ATOM 837 CD ARG A 56 -5.501 12.916 -5.599 1.00 0.00 C ATOM 838 NE ARG A 56 -6.141 14.164 -5.095 1.00 0.00 N ATOM 839 CZ ARG A 56 -7.382 14.145 -4.693 1.00 0.00 C ATOM 840 NH1 ARG A 56 -8.352 14.153 -5.567 1.00 0.00 N ATOM 841 NH2 ARG A 56 -7.653 14.118 -3.417 1.00 0.00 N ATOM 0 H ARG A 56 -1.647 10.591 -5.861 1.00 0.00 H new ATOM 0 HA ARG A 56 -1.862 13.303 -7.132 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.581 11.919 -8.165 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.012 11.193 -6.630 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.156 14.187 -6.719 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.332 13.349 -7.711 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.263 12.173 -5.834 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.862 12.485 -4.828 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.608 15.033 -5.064 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.140 14.174 -6.564 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -9.322 14.138 -5.252 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.895 14.112 -2.735 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.623 14.103 -3.102 1.00 0.00 H new ATOM 855 N MET A 57 -1.746 12.461 -4.158 1.00 0.00 N ATOM 856 CA MET A 57 -1.872 12.910 -2.742 1.00 0.00 C ATOM 857 C MET A 57 -1.943 14.441 -2.691 1.00 0.00 C ATOM 858 O MET A 57 -1.013 15.118 -3.081 1.00 0.00 O ATOM 859 CB MET A 57 -0.657 12.430 -1.946 1.00 0.00 C ATOM 860 CG MET A 57 -0.525 10.912 -2.076 1.00 0.00 C ATOM 861 SD MET A 57 -2.080 10.127 -1.589 1.00 0.00 S ATOM 862 CE MET A 57 -1.695 9.938 0.170 1.00 0.00 C ATOM 0 H MET A 57 -1.069 11.714 -4.317 1.00 0.00 H new ATOM 0 HA MET A 57 -2.781 12.491 -2.309 1.00 0.00 H new ATOM 0 HB2 MET A 57 0.246 12.916 -2.314 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.764 12.707 -0.897 1.00 0.00 H new ATOM 0 HG2 MET A 57 -0.276 10.645 -3.103 1.00 0.00 H new ATOM 0 HG3 MET A 57 0.289 10.552 -1.447 1.00 0.00 H new ATOM 0 HE1 MET A 57 -2.621 9.913 0.745 1.00 0.00 H new ATOM 0 HE2 MET A 57 -1.147 9.009 0.325 1.00 0.00 H new ATOM 0 HE3 MET A 57 -1.085 10.778 0.501 1.00 0.00 H new ATOM 872 N PRO A 58 -3.054 14.936 -2.209 1.00 0.00 N ATOM 873 CA PRO A 58 -3.202 16.407 -2.126 1.00 0.00 C ATOM 874 C PRO A 58 -2.040 17.012 -1.335 1.00 0.00 C ATOM 875 O PRO A 58 -1.530 16.418 -0.406 1.00 0.00 O ATOM 876 CB PRO A 58 -4.524 16.618 -1.389 1.00 0.00 C ATOM 877 CG PRO A 58 -4.784 15.325 -0.593 1.00 0.00 C ATOM 878 CD PRO A 58 -3.939 14.224 -1.256 1.00 0.00 C ATOM 0 HA PRO A 58 -3.196 16.885 -3.106 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -4.465 17.479 -0.724 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -5.335 16.812 -2.091 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -4.504 15.451 0.453 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -5.842 15.065 -0.611 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -3.359 13.673 -0.516 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.570 13.499 -1.770 1.00 0.00 H new ATOM 886 N GLY A 59 -1.614 18.191 -1.699 1.00 0.00 N ATOM 887 CA GLY A 59 -0.483 18.832 -0.971 1.00 0.00 C ATOM 888 C GLY A 59 0.812 18.080 -1.281 1.00 0.00 C ATOM 889 O GLY A 59 1.073 17.024 -0.736 1.00 0.00 O ATOM 0 H GLY A 59 -2.000 18.737 -2.469 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.390 19.877 -1.268 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.674 18.822 0.102 1.00 0.00 H new ATOM 893 N MET A 60 1.624 18.609 -2.155 1.00 0.00 N ATOM 894 CA MET A 60 2.898 17.918 -2.500 1.00 0.00 C ATOM 895 C MET A 60 2.582 16.540 -3.085 1.00 0.00 C ATOM 896 O MET A 60 3.133 15.538 -2.673 1.00 0.00 O ATOM 897 CB MET A 60 3.747 17.752 -1.237 1.00 0.00 C ATOM 898 CG MET A 60 5.152 17.286 -1.622 1.00 0.00 C ATOM 899 SD MET A 60 5.781 16.156 -0.354 1.00 0.00 S ATOM 900 CE MET A 60 7.415 16.910 -0.162 1.00 0.00 C ATOM 0 H MET A 60 1.460 19.489 -2.644 1.00 0.00 H new ATOM 0 HA MET A 60 3.448 18.510 -3.232 1.00 0.00 H new ATOM 0 HB2 MET A 60 3.802 18.697 -0.696 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.283 17.028 -0.567 1.00 0.00 H new ATOM 0 HG2 MET A 60 5.129 16.786 -2.590 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.817 18.144 -1.722 1.00 0.00 H new ATOM 0 HE1 MET A 60 7.984 16.360 0.588 1.00 0.00 H new ATOM 0 HE2 MET A 60 7.944 16.878 -1.114 1.00 0.00 H new ATOM 0 HE3 MET A 60 7.302 17.946 0.156 1.00 0.00 H new ATOM 910 N ASP A 61 1.694 16.481 -4.040 1.00 0.00 N ATOM 911 CA ASP A 61 1.338 15.168 -4.647 1.00 0.00 C ATOM 912 C ASP A 61 2.609 14.447 -5.104 1.00 0.00 C ATOM 913 O ASP A 61 3.556 15.059 -5.554 1.00 0.00 O ATOM 914 CB ASP A 61 0.417 15.393 -5.849 1.00 0.00 C ATOM 915 CG ASP A 61 1.100 16.322 -6.853 1.00 0.00 C ATOM 916 OD1 ASP A 61 1.394 17.447 -6.484 1.00 0.00 O ATOM 917 OD2 ASP A 61 1.316 15.893 -7.975 1.00 0.00 O ATOM 0 H ASP A 61 1.200 17.286 -4.426 1.00 0.00 H new ATOM 0 HA ASP A 61 0.825 14.556 -3.905 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.181 14.440 -6.322 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.527 15.828 -5.520 1.00 0.00 H new ATOM 922 N GLY A 62 2.631 13.148 -4.990 1.00 0.00 N ATOM 923 CA GLY A 62 3.833 12.375 -5.413 1.00 0.00 C ATOM 924 C GLY A 62 3.862 11.047 -4.655 1.00 0.00 C ATOM 925 O GLY A 62 3.441 10.025 -5.159 1.00 0.00 O ATOM 0 H GLY A 62 1.864 12.586 -4.620 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.806 12.195 -6.488 1.00 0.00 H new ATOM 0 HA3 GLY A 62 4.739 12.945 -5.208 1.00 0.00 H new ATOM 929 N LEU A 63 4.344 11.056 -3.442 1.00 0.00 N ATOM 930 CA LEU A 63 4.386 9.795 -2.647 1.00 0.00 C ATOM 931 C LEU A 63 4.863 8.638 -3.530 1.00 0.00 C ATOM 932 O LEU A 63 4.070 7.956 -4.147 1.00 0.00 O ATOM 933 CB LEU A 63 2.979 9.481 -2.136 1.00 0.00 C ATOM 934 CG LEU A 63 2.915 9.694 -0.624 1.00 0.00 C ATOM 935 CD1 LEU A 63 2.339 11.080 -0.330 1.00 0.00 C ATOM 936 CD2 LEU A 63 2.009 8.626 -0.005 1.00 0.00 C ATOM 0 H LEU A 63 4.710 11.881 -2.967 1.00 0.00 H new ATOM 0 HA LEU A 63 5.073 9.919 -1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.251 10.122 -2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.716 8.451 -2.378 1.00 0.00 H new ATOM 0 HG LEU A 63 3.916 9.619 -0.199 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.293 11.234 0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.977 11.842 -0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.336 11.154 -0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.959 8.772 1.074 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.008 8.708 -0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.414 7.637 -0.219 1.00 0.00 H new ATOM 948 N ALA A 64 6.146 8.400 -3.588 1.00 0.00 N ATOM 949 CA ALA A 64 6.644 7.272 -4.427 1.00 0.00 C ATOM 950 C ALA A 64 6.002 5.977 -3.930 1.00 0.00 C ATOM 951 O ALA A 64 5.104 5.441 -4.549 1.00 0.00 O ATOM 952 CB ALA A 64 8.165 7.167 -4.303 1.00 0.00 C ATOM 0 H ALA A 64 6.864 8.932 -3.096 1.00 0.00 H new ATOM 0 HA ALA A 64 6.385 7.444 -5.472 1.00 0.00 H new ATOM 0 HB1 ALA A 64 8.524 6.342 -4.918 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.623 8.097 -4.641 1.00 0.00 H new ATOM 0 HB3 ALA A 64 8.434 6.988 -3.262 1.00 0.00 H new ATOM 958 N LEU A 65 6.450 5.480 -2.805 1.00 0.00 N ATOM 959 CA LEU A 65 5.863 4.228 -2.238 1.00 0.00 C ATOM 960 C LEU A 65 6.373 3.000 -2.999 1.00 0.00 C ATOM 961 O LEU A 65 6.171 1.877 -2.579 1.00 0.00 O ATOM 962 CB LEU A 65 4.337 4.292 -2.332 1.00 0.00 C ATOM 963 CG LEU A 65 3.855 5.661 -1.847 1.00 0.00 C ATOM 964 CD1 LEU A 65 2.423 5.898 -2.328 1.00 0.00 C ATOM 965 CD2 LEU A 65 3.897 5.699 -0.318 1.00 0.00 C ATOM 0 H LEU A 65 7.202 5.891 -2.251 1.00 0.00 H new ATOM 0 HA LEU A 65 6.165 4.141 -1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.018 4.125 -3.361 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.891 3.502 -1.728 1.00 0.00 H new ATOM 0 HG LEU A 65 4.503 6.440 -2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.080 6.873 -1.982 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.396 5.869 -3.417 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.771 5.121 -1.928 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.554 6.673 0.031 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.248 4.921 0.083 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.919 5.531 0.022 1.00 0.00 H new ATOM 977 N LEU A 66 7.037 3.191 -4.106 1.00 0.00 N ATOM 978 CA LEU A 66 7.554 2.021 -4.862 1.00 0.00 C ATOM 979 C LEU A 66 8.771 1.460 -4.130 1.00 0.00 C ATOM 980 O LEU A 66 8.941 0.261 -4.020 1.00 0.00 O ATOM 981 CB LEU A 66 7.948 2.457 -6.276 1.00 0.00 C ATOM 982 CG LEU A 66 6.689 2.592 -7.137 1.00 0.00 C ATOM 983 CD1 LEU A 66 5.900 1.282 -7.099 1.00 0.00 C ATOM 984 CD2 LEU A 66 5.815 3.723 -6.589 1.00 0.00 C ATOM 0 H LEU A 66 7.242 4.102 -4.516 1.00 0.00 H new ATOM 0 HA LEU A 66 6.784 1.253 -4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.481 3.407 -6.240 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.627 1.727 -6.717 1.00 0.00 H new ATOM 0 HG LEU A 66 6.977 2.816 -8.164 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.004 1.379 -7.712 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.519 0.473 -7.487 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.614 1.059 -6.071 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.919 3.820 -7.202 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.530 3.497 -5.562 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.373 4.659 -6.613 1.00 0.00 H new ATOM 996 N LYS A 67 9.608 2.315 -3.609 1.00 0.00 N ATOM 997 CA LYS A 67 10.796 1.823 -2.861 1.00 0.00 C ATOM 998 C LYS A 67 10.302 1.092 -1.614 1.00 0.00 C ATOM 999 O LYS A 67 10.940 0.186 -1.114 1.00 0.00 O ATOM 1000 CB LYS A 67 11.679 3.004 -2.452 1.00 0.00 C ATOM 1001 CG LYS A 67 10.930 3.877 -1.445 1.00 0.00 C ATOM 1002 CD LYS A 67 11.045 5.343 -1.862 1.00 0.00 C ATOM 1003 CE LYS A 67 10.985 6.235 -0.620 1.00 0.00 C ATOM 1004 NZ LYS A 67 9.564 6.559 -0.311 1.00 0.00 N ATOM 0 H LYS A 67 9.520 3.329 -3.669 1.00 0.00 H new ATOM 0 HA LYS A 67 11.383 1.151 -3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.609 2.642 -2.014 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.948 3.592 -3.330 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.882 3.581 -1.399 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.345 3.738 -0.447 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.981 5.508 -2.396 1.00 0.00 H new ATOM 0 HD3 LYS A 67 10.238 5.601 -2.547 1.00 0.00 H new ATOM 0 HE2 LYS A 67 11.446 5.728 0.228 1.00 0.00 H new ATOM 0 HE3 LYS A 67 11.550 7.152 -0.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.522 7.165 0.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 9.138 7.059 -1.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.038 5.680 -0.132 1.00 0.00 H new ATOM 1018 N GLN A 68 9.153 1.473 -1.121 1.00 0.00 N ATOM 1019 CA GLN A 68 8.591 0.799 0.080 1.00 0.00 C ATOM 1020 C GLN A 68 8.271 -0.654 -0.282 1.00 0.00 C ATOM 1021 O GLN A 68 8.822 -1.575 0.285 1.00 0.00 O ATOM 1022 CB GLN A 68 7.312 1.529 0.521 1.00 0.00 C ATOM 1023 CG GLN A 68 6.494 0.640 1.462 1.00 0.00 C ATOM 1024 CD GLN A 68 7.241 0.473 2.786 1.00 0.00 C ATOM 1025 OE1 GLN A 68 7.181 1.331 3.644 1.00 0.00 O ATOM 1026 NE2 GLN A 68 7.948 -0.606 2.990 1.00 0.00 N ATOM 0 H GLN A 68 8.579 2.225 -1.502 1.00 0.00 H new ATOM 0 HA GLN A 68 9.309 0.822 0.900 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.571 2.461 1.023 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.715 1.793 -0.352 1.00 0.00 H new ATOM 0 HG2 GLN A 68 5.514 1.084 1.639 1.00 0.00 H new ATOM 0 HG3 GLN A 68 6.324 -0.334 1.003 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.998 -1.326 2.270 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.450 -0.728 3.870 1.00 0.00 H new ATOM 1035 N ILE A 69 7.373 -0.861 -1.214 1.00 0.00 N ATOM 1036 CA ILE A 69 6.995 -2.251 -1.620 1.00 0.00 C ATOM 1037 C ILE A 69 8.215 -3.177 -1.574 1.00 0.00 C ATOM 1038 O ILE A 69 8.367 -3.976 -0.677 1.00 0.00 O ATOM 1039 CB ILE A 69 6.453 -2.213 -3.053 1.00 0.00 C ATOM 1040 CG1 ILE A 69 5.058 -1.590 -3.053 1.00 0.00 C ATOM 1041 CG2 ILE A 69 6.372 -3.634 -3.619 1.00 0.00 C ATOM 1042 CD1 ILE A 69 4.809 -0.889 -4.389 1.00 0.00 C ATOM 0 H ILE A 69 6.882 -0.121 -1.715 1.00 0.00 H new ATOM 0 HA ILE A 69 6.240 -2.630 -0.932 1.00 0.00 H new ATOM 0 HB ILE A 69 7.123 -1.617 -3.672 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.305 -2.361 -2.889 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.967 -0.876 -2.234 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.986 -3.598 -4.638 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.366 -4.081 -3.623 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.706 -4.235 -2.999 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.813 -0.445 -4.387 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.554 -0.107 -4.534 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.881 -1.614 -5.199 1.00 0.00 H new ATOM 1054 N LYS A 70 9.081 -3.084 -2.543 1.00 0.00 N ATOM 1055 CA LYS A 70 10.282 -3.966 -2.553 1.00 0.00 C ATOM 1056 C LYS A 70 10.873 -4.037 -1.140 1.00 0.00 C ATOM 1057 O LYS A 70 10.972 -5.093 -0.549 1.00 0.00 O ATOM 1058 CB LYS A 70 11.324 -3.392 -3.515 1.00 0.00 C ATOM 1059 CG LYS A 70 10.932 -3.722 -4.959 1.00 0.00 C ATOM 1060 CD LYS A 70 9.963 -2.659 -5.489 1.00 0.00 C ATOM 1061 CE LYS A 70 10.035 -2.618 -7.018 1.00 0.00 C ATOM 1062 NZ LYS A 70 11.325 -2.002 -7.442 1.00 0.00 N ATOM 0 H LYS A 70 9.010 -2.437 -3.328 1.00 0.00 H new ATOM 0 HA LYS A 70 9.999 -4.967 -2.879 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.396 -2.312 -3.386 1.00 0.00 H new ATOM 0 HB3 LYS A 70 12.307 -3.807 -3.291 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.822 -3.762 -5.587 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.466 -4.706 -5.003 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.946 -2.886 -5.168 1.00 0.00 H new ATOM 0 HD3 LYS A 70 10.217 -1.683 -5.076 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.952 -3.626 -7.423 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.198 -2.044 -7.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.218 -1.590 -8.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.591 -1.256 -6.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.067 -2.730 -7.463 1.00 0.00 H new ATOM 1076 N GLN A 71 11.289 -2.920 -0.613 1.00 0.00 N ATOM 1077 CA GLN A 71 11.900 -2.894 0.750 1.00 0.00 C ATOM 1078 C GLN A 71 11.218 -3.894 1.698 1.00 0.00 C ATOM 1079 O GLN A 71 11.873 -4.551 2.485 1.00 0.00 O ATOM 1080 CB GLN A 71 11.744 -1.487 1.334 1.00 0.00 C ATOM 1081 CG GLN A 71 12.958 -0.640 0.950 1.00 0.00 C ATOM 1082 CD GLN A 71 13.555 -0.010 2.208 1.00 0.00 C ATOM 1083 OE1 GLN A 71 14.295 -0.649 2.930 1.00 0.00 O ATOM 1084 NE2 GLN A 71 13.262 1.226 2.505 1.00 0.00 N ATOM 0 H GLN A 71 11.232 -2.011 -1.073 1.00 0.00 H new ATOM 0 HA GLN A 71 12.950 -3.170 0.656 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.831 -1.025 0.959 1.00 0.00 H new ATOM 0 HB3 GLN A 71 11.652 -1.540 2.419 1.00 0.00 H new ATOM 0 HG2 GLN A 71 13.704 -1.259 0.451 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.665 0.137 0.245 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.641 1.763 1.899 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.654 1.656 3.343 1.00 0.00 H new ATOM 1093 N ARG A 72 9.914 -3.990 1.667 1.00 0.00 N ATOM 1094 CA ARG A 72 9.216 -4.920 2.609 1.00 0.00 C ATOM 1095 C ARG A 72 8.190 -5.790 1.874 1.00 0.00 C ATOM 1096 O ARG A 72 7.099 -6.013 2.360 1.00 0.00 O ATOM 1097 CB ARG A 72 8.488 -4.088 3.664 1.00 0.00 C ATOM 1098 CG ARG A 72 9.060 -4.399 5.050 1.00 0.00 C ATOM 1099 CD ARG A 72 10.186 -3.413 5.369 1.00 0.00 C ATOM 1100 NE ARG A 72 10.264 -3.205 6.844 1.00 0.00 N ATOM 1101 CZ ARG A 72 11.423 -3.200 7.443 1.00 0.00 C ATOM 1102 NH1 ARG A 72 12.183 -2.141 7.388 1.00 0.00 N ATOM 1103 NH2 ARG A 72 11.822 -4.255 8.101 1.00 0.00 N ATOM 0 H ARG A 72 9.305 -3.470 1.036 1.00 0.00 H new ATOM 0 HA ARG A 72 9.958 -5.574 3.066 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.599 -3.026 3.444 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.421 -4.308 3.642 1.00 0.00 H new ATOM 0 HG2 ARG A 72 8.276 -4.328 5.803 1.00 0.00 H new ATOM 0 HG3 ARG A 72 9.438 -5.421 5.078 1.00 0.00 H new ATOM 0 HD2 ARG A 72 11.135 -3.796 4.995 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.005 -2.463 4.866 1.00 0.00 H new ATOM 0 HE ARG A 72 9.410 -3.067 7.385 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.871 -1.316 6.876 1.00 0.00 H new ATOM 0 HH12 ARG A 72 13.089 -2.138 7.857 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.228 -5.083 8.147 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.728 -4.251 8.569 1.00 0.00 H new ATOM 1117 N HIS A 73 8.521 -6.293 0.721 1.00 0.00 N ATOM 1118 CA HIS A 73 7.552 -7.152 -0.017 1.00 0.00 C ATOM 1119 C HIS A 73 8.332 -8.204 -0.816 1.00 0.00 C ATOM 1120 O HIS A 73 9.480 -7.999 -1.155 1.00 0.00 O ATOM 1121 CB HIS A 73 6.702 -6.283 -0.951 1.00 0.00 C ATOM 1122 CG HIS A 73 5.714 -5.478 -0.133 1.00 0.00 C ATOM 1123 ND1 HIS A 73 6.112 -4.430 0.687 1.00 0.00 N ATOM 1124 CD2 HIS A 73 4.343 -5.554 0.008 1.00 0.00 C ATOM 1125 CE1 HIS A 73 5.013 -3.928 1.271 1.00 0.00 C ATOM 1126 NE2 HIS A 73 3.913 -4.572 0.893 1.00 0.00 N ATOM 0 H HIS A 73 9.418 -6.149 0.257 1.00 0.00 H new ATOM 0 HA HIS A 73 6.886 -7.656 0.683 1.00 0.00 H new ATOM 0 HB2 HIS A 73 7.343 -5.615 -1.527 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.171 -6.911 -1.667 1.00 0.00 H new ATOM 0 HD1 HIS A 73 7.068 -4.101 0.821 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.703 -6.266 -0.492 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.021 -3.100 1.965 1.00 0.00 H new ATOM 1134 N PRO A 74 7.683 -9.310 -1.075 1.00 0.00 N ATOM 1135 CA PRO A 74 8.363 -10.399 -1.823 1.00 0.00 C ATOM 1136 C PRO A 74 8.800 -9.951 -3.225 1.00 0.00 C ATOM 1137 O PRO A 74 9.469 -10.684 -3.924 1.00 0.00 O ATOM 1138 CB PRO A 74 7.321 -11.512 -1.909 1.00 0.00 C ATOM 1139 CG PRO A 74 5.951 -10.836 -1.729 1.00 0.00 C ATOM 1140 CD PRO A 74 6.214 -9.498 -1.017 1.00 0.00 C ATOM 0 HA PRO A 74 9.279 -10.716 -1.324 1.00 0.00 H new ATOM 0 HB2 PRO A 74 7.378 -12.025 -2.869 1.00 0.00 H new ATOM 0 HB3 PRO A 74 7.489 -12.262 -1.136 1.00 0.00 H new ATOM 0 HG2 PRO A 74 5.469 -10.674 -2.693 1.00 0.00 H new ATOM 0 HG3 PRO A 74 5.283 -11.464 -1.140 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.692 -8.679 -1.512 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.861 -9.524 0.014 1.00 0.00 H new ATOM 1148 N MET A 75 8.445 -8.764 -3.640 1.00 0.00 N ATOM 1149 CA MET A 75 8.861 -8.281 -4.992 1.00 0.00 C ATOM 1150 C MET A 75 7.948 -8.873 -6.069 1.00 0.00 C ATOM 1151 O MET A 75 8.059 -10.029 -6.428 1.00 0.00 O ATOM 1152 CB MET A 75 10.310 -8.692 -5.280 1.00 0.00 C ATOM 1153 CG MET A 75 11.179 -8.458 -4.041 1.00 0.00 C ATOM 1154 SD MET A 75 12.925 -8.507 -4.517 1.00 0.00 S ATOM 1155 CE MET A 75 13.233 -6.727 -4.428 1.00 0.00 C ATOM 0 H MET A 75 7.883 -8.105 -3.100 1.00 0.00 H new ATOM 0 HA MET A 75 8.783 -7.194 -5.007 1.00 0.00 H new ATOM 0 HB2 MET A 75 10.348 -9.743 -5.567 1.00 0.00 H new ATOM 0 HB3 MET A 75 10.699 -8.117 -6.121 1.00 0.00 H new ATOM 0 HG2 MET A 75 10.940 -7.494 -3.592 1.00 0.00 H new ATOM 0 HG3 MET A 75 10.974 -9.220 -3.289 1.00 0.00 H new ATOM 0 HE1 MET A 75 14.272 -6.524 -4.689 1.00 0.00 H new ATOM 0 HE2 MET A 75 12.576 -6.209 -5.126 1.00 0.00 H new ATOM 0 HE3 MET A 75 13.037 -6.374 -3.415 1.00 0.00 H new ATOM 1165 N LEU A 76 7.059 -8.080 -6.594 1.00 0.00 N ATOM 1166 CA LEU A 76 6.139 -8.570 -7.661 1.00 0.00 C ATOM 1167 C LEU A 76 5.859 -7.413 -8.621 1.00 0.00 C ATOM 1168 O LEU A 76 5.989 -6.266 -8.243 1.00 0.00 O ATOM 1169 CB LEU A 76 4.826 -9.052 -7.029 1.00 0.00 C ATOM 1170 CG LEU A 76 4.528 -8.247 -5.770 1.00 0.00 C ATOM 1171 CD1 LEU A 76 3.073 -7.773 -5.810 1.00 0.00 C ATOM 1172 CD2 LEU A 76 4.744 -9.136 -4.546 1.00 0.00 C ATOM 0 H LEU A 76 6.927 -7.104 -6.329 1.00 0.00 H new ATOM 0 HA LEU A 76 6.594 -9.401 -8.199 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.008 -8.944 -7.742 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.898 -10.112 -6.785 1.00 0.00 H new ATOM 0 HG LEU A 76 5.190 -7.383 -5.715 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.853 -7.196 -4.912 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.918 -7.148 -6.689 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.410 -8.637 -5.858 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.533 -8.567 -3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.076 -9.996 -4.598 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.778 -9.481 -4.525 1.00 0.00 H new ATOM 1184 N PRO A 77 5.494 -7.737 -9.836 1.00 0.00 N ATOM 1185 CA PRO A 77 5.229 -6.628 -10.782 1.00 0.00 C ATOM 1186 C PRO A 77 4.426 -5.505 -10.115 1.00 0.00 C ATOM 1187 O PRO A 77 3.411 -5.722 -9.466 1.00 0.00 O ATOM 1188 CB PRO A 77 4.457 -7.268 -11.938 1.00 0.00 C ATOM 1189 CG PRO A 77 3.845 -8.556 -11.375 1.00 0.00 C ATOM 1190 CD PRO A 77 4.745 -8.970 -10.203 1.00 0.00 C ATOM 0 HA PRO A 77 6.150 -6.157 -11.127 1.00 0.00 H new ATOM 0 HB2 PRO A 77 3.682 -6.597 -12.308 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.119 -7.484 -12.777 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.821 -8.389 -11.041 1.00 0.00 H new ATOM 0 HG3 PRO A 77 3.809 -9.336 -12.135 1.00 0.00 H new ATOM 0 HD2 PRO A 77 4.155 -9.338 -9.363 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.424 -9.773 -10.491 1.00 0.00 H new ATOM 1198 N VAL A 78 4.895 -4.298 -10.267 1.00 0.00 N ATOM 1199 CA VAL A 78 4.208 -3.136 -9.661 1.00 0.00 C ATOM 1200 C VAL A 78 3.869 -2.133 -10.761 1.00 0.00 C ATOM 1201 O VAL A 78 4.183 -2.330 -11.919 1.00 0.00 O ATOM 1202 CB VAL A 78 5.141 -2.479 -8.643 1.00 0.00 C ATOM 1203 CG1 VAL A 78 4.986 -3.167 -7.285 1.00 0.00 C ATOM 1204 CG2 VAL A 78 6.591 -2.610 -9.118 1.00 0.00 C ATOM 0 H VAL A 78 5.738 -4.070 -10.794 1.00 0.00 H new ATOM 0 HA VAL A 78 3.294 -3.459 -9.163 1.00 0.00 H new ATOM 0 HB VAL A 78 4.884 -1.424 -8.546 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.652 -2.697 -6.561 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.955 -3.072 -6.945 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.241 -4.222 -7.381 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.255 -2.141 -8.392 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.848 -3.665 -9.217 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.703 -2.117 -10.084 1.00 0.00 H new ATOM 1214 N ILE A 79 3.236 -1.057 -10.407 1.00 0.00 N ATOM 1215 CA ILE A 79 2.875 -0.030 -11.418 1.00 0.00 C ATOM 1216 C ILE A 79 2.863 1.342 -10.732 1.00 0.00 C ATOM 1217 O ILE A 79 2.964 1.440 -9.526 1.00 0.00 O ATOM 1218 CB ILE A 79 1.494 -0.376 -12.022 1.00 0.00 C ATOM 1219 CG1 ILE A 79 1.584 -0.341 -13.550 1.00 0.00 C ATOM 1220 CG2 ILE A 79 0.415 0.614 -11.562 1.00 0.00 C ATOM 1221 CD1 ILE A 79 0.785 -1.510 -14.130 1.00 0.00 C ATOM 0 H ILE A 79 2.950 -0.841 -9.452 1.00 0.00 H new ATOM 0 HA ILE A 79 3.601 -0.007 -12.231 1.00 0.00 H new ATOM 0 HB ILE A 79 1.216 -1.372 -11.678 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.194 0.604 -13.927 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.625 -0.405 -13.866 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -0.542 0.341 -12.006 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.333 0.584 -10.475 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.687 1.621 -11.878 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.847 -1.489 -15.218 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.196 -2.450 -13.762 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.258 -1.425 -13.824 1.00 0.00 H new ATOM 1233 N ILE A 80 2.741 2.395 -11.484 1.00 0.00 N ATOM 1234 CA ILE A 80 2.726 3.747 -10.862 1.00 0.00 C ATOM 1235 C ILE A 80 2.107 4.745 -11.839 1.00 0.00 C ATOM 1236 O ILE A 80 2.383 4.724 -13.023 1.00 0.00 O ATOM 1237 CB ILE A 80 4.159 4.172 -10.533 1.00 0.00 C ATOM 1238 CG1 ILE A 80 4.186 5.665 -10.198 1.00 0.00 C ATOM 1239 CG2 ILE A 80 5.058 3.908 -11.740 1.00 0.00 C ATOM 1240 CD1 ILE A 80 5.393 5.969 -9.310 1.00 0.00 C ATOM 0 H ILE A 80 2.651 2.381 -12.500 1.00 0.00 H new ATOM 0 HA ILE A 80 2.137 3.722 -9.945 1.00 0.00 H new ATOM 0 HB ILE A 80 4.519 3.600 -9.677 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.239 6.253 -11.114 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.266 5.951 -9.689 1.00 0.00 H new ATOM 0 HG21 ILE A 80 6.079 4.210 -11.506 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.041 2.845 -11.981 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.697 4.480 -12.595 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.411 7.033 -9.072 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.321 5.392 -8.388 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.309 5.699 -9.836 1.00 0.00 H new ATOM 1252 N MET A 81 1.273 5.622 -11.355 1.00 0.00 N ATOM 1253 CA MET A 81 0.646 6.620 -12.266 1.00 0.00 C ATOM 1254 C MET A 81 1.582 7.822 -12.410 1.00 0.00 C ATOM 1255 O MET A 81 2.136 8.310 -11.444 1.00 0.00 O ATOM 1256 CB MET A 81 -0.696 7.070 -11.689 1.00 0.00 C ATOM 1257 CG MET A 81 -1.464 5.851 -11.174 1.00 0.00 C ATOM 1258 SD MET A 81 -2.865 6.402 -10.170 1.00 0.00 S ATOM 1259 CE MET A 81 -3.905 4.945 -10.416 1.00 0.00 C ATOM 0 H MET A 81 0.999 5.691 -10.375 1.00 0.00 H new ATOM 0 HA MET A 81 0.477 6.172 -13.245 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.535 7.781 -10.879 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.279 7.584 -12.453 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.817 5.250 -12.012 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.805 5.216 -10.581 1.00 0.00 H new ATOM 0 HE1 MET A 81 -4.842 5.071 -9.873 1.00 0.00 H new ATOM 0 HE2 MET A 81 -4.115 4.823 -11.479 1.00 0.00 H new ATOM 0 HE3 MET A 81 -3.387 4.061 -10.045 1.00 0.00 H new ATOM 1269 N THR A 82 1.774 8.296 -13.610 1.00 0.00 N ATOM 1270 CA THR A 82 2.688 9.456 -13.817 1.00 0.00 C ATOM 1271 C THR A 82 2.035 10.737 -13.294 1.00 0.00 C ATOM 1272 O THR A 82 0.829 10.883 -13.305 1.00 0.00 O ATOM 1273 CB THR A 82 2.996 9.613 -15.308 1.00 0.00 C ATOM 1274 OG1 THR A 82 2.088 8.826 -16.067 1.00 0.00 O ATOM 1275 CG2 THR A 82 4.428 9.154 -15.586 1.00 0.00 C ATOM 0 H THR A 82 1.338 7.931 -14.457 1.00 0.00 H new ATOM 0 HA THR A 82 3.615 9.277 -13.272 1.00 0.00 H new ATOM 0 HB THR A 82 2.891 10.660 -15.591 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.380 8.800 -17.002 1.00 0.00 H new ATOM 0 HG21 THR A 82 4.646 9.266 -16.648 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.124 9.761 -15.006 1.00 0.00 H new ATOM 0 HG23 THR A 82 4.536 8.107 -15.302 1.00 0.00 H new ATOM 1283 N ALA A 83 2.830 11.668 -12.838 1.00 0.00 N ATOM 1284 CA ALA A 83 2.266 12.946 -12.316 1.00 0.00 C ATOM 1285 C ALA A 83 3.346 13.710 -11.542 1.00 0.00 C ATOM 1286 O ALA A 83 3.065 14.385 -10.572 1.00 0.00 O ATOM 1287 CB ALA A 83 1.092 12.640 -11.386 1.00 0.00 C ATOM 0 H ALA A 83 3.847 11.598 -12.805 1.00 0.00 H new ATOM 0 HA ALA A 83 1.922 13.557 -13.151 1.00 0.00 H new ATOM 0 HB1 ALA A 83 0.678 13.573 -11.003 1.00 0.00 H new ATOM 0 HB2 ALA A 83 0.322 12.101 -11.938 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.438 12.028 -10.553 1.00 0.00 H new ATOM 1293 N HIS A 84 4.578 13.614 -11.966 1.00 0.00 N ATOM 1294 CA HIS A 84 5.673 14.339 -11.258 1.00 0.00 C ATOM 1295 C HIS A 84 5.913 13.710 -9.883 1.00 0.00 C ATOM 1296 O HIS A 84 5.058 13.041 -9.336 1.00 0.00 O ATOM 1297 CB HIS A 84 5.280 15.808 -11.087 1.00 0.00 C ATOM 1298 CG HIS A 84 6.445 16.681 -11.465 1.00 0.00 C ATOM 1299 ND1 HIS A 84 7.322 17.192 -10.521 1.00 0.00 N ATOM 1300 CD2 HIS A 84 6.893 17.139 -12.679 1.00 0.00 C ATOM 1301 CE1 HIS A 84 8.245 17.918 -11.177 1.00 0.00 C ATOM 1302 NE2 HIS A 84 8.030 17.919 -12.495 1.00 0.00 N ATOM 0 H HIS A 84 4.874 13.064 -12.773 1.00 0.00 H new ATOM 0 HA HIS A 84 6.588 14.270 -11.846 1.00 0.00 H new ATOM 0 HB2 HIS A 84 4.418 16.041 -11.712 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.986 16.000 -10.055 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.433 16.926 -13.632 1.00 0.00 H new ATOM 0 HE1 HIS A 84 9.061 18.437 -10.696 1.00 0.00 H new ATOM 0 HE2 HIS A 84 8.581 18.390 -13.212 1.00 0.00 H new ATOM 1310 N SER A 85 7.073 13.924 -9.320 1.00 0.00 N ATOM 1311 CA SER A 85 7.377 13.344 -7.978 1.00 0.00 C ATOM 1312 C SER A 85 7.249 11.820 -8.032 1.00 0.00 C ATOM 1313 O SER A 85 6.224 11.264 -7.694 1.00 0.00 O ATOM 1314 CB SER A 85 6.397 13.902 -6.946 1.00 0.00 C ATOM 1315 OG SER A 85 6.675 15.279 -6.730 1.00 0.00 O ATOM 0 H SER A 85 7.825 14.477 -9.732 1.00 0.00 H new ATOM 0 HA SER A 85 8.395 13.610 -7.694 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.372 13.777 -7.296 1.00 0.00 H new ATOM 0 HB3 SER A 85 6.484 13.351 -6.010 1.00 0.00 H new ATOM 0 HG SER A 85 6.047 15.640 -6.070 1.00 0.00 H new ATOM 1321 N ASP A 86 8.285 11.141 -8.451 1.00 0.00 N ATOM 1322 CA ASP A 86 8.230 9.651 -8.525 1.00 0.00 C ATOM 1323 C ASP A 86 9.407 9.139 -9.360 1.00 0.00 C ATOM 1324 O ASP A 86 10.049 8.168 -9.012 1.00 0.00 O ATOM 1325 CB ASP A 86 6.919 9.214 -9.185 1.00 0.00 C ATOM 1326 CG ASP A 86 6.661 10.065 -10.431 1.00 0.00 C ATOM 1327 OD1 ASP A 86 6.177 11.174 -10.278 1.00 0.00 O ATOM 1328 OD2 ASP A 86 6.950 9.592 -11.518 1.00 0.00 O ATOM 0 H ASP A 86 9.169 11.556 -8.746 1.00 0.00 H new ATOM 0 HA ASP A 86 8.285 9.240 -7.517 1.00 0.00 H new ATOM 0 HB2 ASP A 86 6.971 8.160 -9.457 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.093 9.321 -8.482 1.00 0.00 H new ATOM 1333 N LEU A 87 9.672 9.781 -10.468 1.00 0.00 N ATOM 1334 CA LEU A 87 10.789 9.352 -11.364 1.00 0.00 C ATOM 1335 C LEU A 87 11.972 8.808 -10.552 1.00 0.00 C ATOM 1336 O LEU A 87 12.716 7.967 -11.015 1.00 0.00 O ATOM 1337 CB LEU A 87 11.260 10.558 -12.180 1.00 0.00 C ATOM 1338 CG LEU A 87 10.716 10.452 -13.605 1.00 0.00 C ATOM 1339 CD1 LEU A 87 9.968 11.738 -13.963 1.00 0.00 C ATOM 1340 CD2 LEU A 87 11.879 10.250 -14.580 1.00 0.00 C ATOM 0 H LEU A 87 9.154 10.597 -10.795 1.00 0.00 H new ATOM 0 HA LEU A 87 10.425 8.560 -12.018 1.00 0.00 H new ATOM 0 HB2 LEU A 87 10.916 11.482 -11.715 1.00 0.00 H new ATOM 0 HB3 LEU A 87 12.349 10.596 -12.197 1.00 0.00 H new ATOM 0 HG LEU A 87 10.033 9.605 -13.672 1.00 0.00 H new ATOM 0 HD11 LEU A 87 9.580 11.663 -14.979 1.00 0.00 H new ATOM 0 HD12 LEU A 87 9.141 11.883 -13.268 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.650 12.586 -13.897 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.493 10.174 -15.596 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.561 11.098 -14.513 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.412 9.334 -14.325 1.00 0.00 H new ATOM 1352 N ASP A 88 12.161 9.287 -9.353 1.00 0.00 N ATOM 1353 CA ASP A 88 13.306 8.801 -8.528 1.00 0.00 C ATOM 1354 C ASP A 88 13.095 7.333 -8.143 1.00 0.00 C ATOM 1355 O ASP A 88 13.847 6.465 -8.538 1.00 0.00 O ATOM 1356 CB ASP A 88 13.414 9.650 -7.259 1.00 0.00 C ATOM 1357 CG ASP A 88 14.491 9.064 -6.344 1.00 0.00 C ATOM 1358 OD1 ASP A 88 15.453 8.523 -6.864 1.00 0.00 O ATOM 1359 OD2 ASP A 88 14.336 9.167 -5.138 1.00 0.00 O ATOM 0 H ASP A 88 11.574 9.993 -8.909 1.00 0.00 H new ATOM 0 HA ASP A 88 14.224 8.887 -9.109 1.00 0.00 H new ATOM 0 HB2 ASP A 88 13.662 10.680 -7.517 1.00 0.00 H new ATOM 0 HB3 ASP A 88 12.455 9.673 -6.741 1.00 0.00 H new ATOM 1364 N ALA A 89 12.087 7.048 -7.362 1.00 0.00 N ATOM 1365 CA ALA A 89 11.843 5.636 -6.943 1.00 0.00 C ATOM 1366 C ALA A 89 11.563 4.759 -8.168 1.00 0.00 C ATOM 1367 O ALA A 89 11.528 3.548 -8.077 1.00 0.00 O ATOM 1368 CB ALA A 89 10.641 5.586 -5.997 1.00 0.00 C ATOM 0 H ALA A 89 11.423 7.730 -6.996 1.00 0.00 H new ATOM 0 HA ALA A 89 12.730 5.260 -6.434 1.00 0.00 H new ATOM 0 HB1 ALA A 89 10.462 4.555 -5.690 1.00 0.00 H new ATOM 0 HB2 ALA A 89 10.845 6.196 -5.117 1.00 0.00 H new ATOM 0 HB3 ALA A 89 9.759 5.971 -6.509 1.00 0.00 H new ATOM 1374 N ALA A 90 11.359 5.353 -9.311 1.00 0.00 N ATOM 1375 CA ALA A 90 11.077 4.541 -10.531 1.00 0.00 C ATOM 1376 C ALA A 90 12.367 4.350 -11.336 1.00 0.00 C ATOM 1377 O ALA A 90 12.956 3.288 -11.332 1.00 0.00 O ATOM 1378 CB ALA A 90 10.043 5.264 -11.396 1.00 0.00 C ATOM 0 H ALA A 90 11.375 6.363 -9.454 1.00 0.00 H new ATOM 0 HA ALA A 90 10.690 3.567 -10.233 1.00 0.00 H new ATOM 0 HB1 ALA A 90 9.836 4.672 -12.287 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.123 5.398 -10.828 1.00 0.00 H new ATOM 0 HB3 ALA A 90 10.432 6.239 -11.690 1.00 0.00 H new ATOM 1384 N VAL A 91 12.786 5.369 -12.042 1.00 0.00 N ATOM 1385 CA VAL A 91 14.023 5.278 -12.879 1.00 0.00 C ATOM 1386 C VAL A 91 15.068 4.371 -12.217 1.00 0.00 C ATOM 1387 O VAL A 91 15.855 3.730 -12.886 1.00 0.00 O ATOM 1388 CB VAL A 91 14.614 6.680 -13.045 1.00 0.00 C ATOM 1389 CG1 VAL A 91 16.016 6.579 -13.652 1.00 0.00 C ATOM 1390 CG2 VAL A 91 13.715 7.501 -13.973 1.00 0.00 C ATOM 0 H VAL A 91 12.317 6.274 -12.075 1.00 0.00 H new ATOM 0 HA VAL A 91 13.759 4.855 -13.848 1.00 0.00 H new ATOM 0 HB VAL A 91 14.677 7.165 -12.071 1.00 0.00 H new ATOM 0 HG11 VAL A 91 16.435 7.579 -13.769 1.00 0.00 H new ATOM 0 HG12 VAL A 91 16.656 5.992 -12.993 1.00 0.00 H new ATOM 0 HG13 VAL A 91 15.957 6.094 -14.626 1.00 0.00 H new ATOM 0 HG21 VAL A 91 14.133 8.500 -14.094 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.654 7.013 -14.946 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.717 7.575 -13.541 1.00 0.00 H new ATOM 1400 N SER A 92 15.096 4.315 -10.915 1.00 0.00 N ATOM 1401 CA SER A 92 16.105 3.452 -10.238 1.00 0.00 C ATOM 1402 C SER A 92 15.427 2.204 -9.666 1.00 0.00 C ATOM 1403 O SER A 92 14.217 2.089 -9.656 1.00 0.00 O ATOM 1404 CB SER A 92 16.772 4.237 -9.108 1.00 0.00 C ATOM 1405 OG SER A 92 18.103 4.568 -9.485 1.00 0.00 O ATOM 0 H SER A 92 14.469 4.825 -10.293 1.00 0.00 H new ATOM 0 HA SER A 92 16.859 3.146 -10.964 1.00 0.00 H new ATOM 0 HB2 SER A 92 16.206 5.144 -8.897 1.00 0.00 H new ATOM 0 HB3 SER A 92 16.778 3.645 -8.193 1.00 0.00 H new ATOM 0 HG SER A 92 18.532 5.073 -8.763 1.00 0.00 H new ATOM 1411 N ALA A 93 16.204 1.266 -9.191 1.00 0.00 N ATOM 1412 CA ALA A 93 15.616 0.020 -8.618 1.00 0.00 C ATOM 1413 C ALA A 93 15.166 -0.902 -9.755 1.00 0.00 C ATOM 1414 O ALA A 93 14.018 -1.289 -9.834 1.00 0.00 O ATOM 1415 CB ALA A 93 14.412 0.372 -7.743 1.00 0.00 C ATOM 0 H ALA A 93 17.223 1.310 -9.175 1.00 0.00 H new ATOM 0 HA ALA A 93 16.367 -0.486 -8.012 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.986 -0.541 -7.327 1.00 0.00 H new ATOM 0 HB2 ALA A 93 14.731 1.027 -6.932 1.00 0.00 H new ATOM 0 HB3 ALA A 93 13.660 0.881 -8.346 1.00 0.00 H new ATOM 1421 N TYR A 94 16.063 -1.257 -10.636 1.00 0.00 N ATOM 1422 CA TYR A 94 15.685 -2.151 -11.766 1.00 0.00 C ATOM 1423 C TYR A 94 14.592 -1.481 -12.601 1.00 0.00 C ATOM 1424 O TYR A 94 13.594 -2.088 -12.935 1.00 0.00 O ATOM 1425 CB TYR A 94 15.166 -3.481 -11.216 1.00 0.00 C ATOM 1426 CG TYR A 94 15.931 -4.621 -11.849 1.00 0.00 C ATOM 1427 CD1 TYR A 94 15.842 -4.843 -13.229 1.00 0.00 C ATOM 1428 CD2 TYR A 94 16.729 -5.453 -11.057 1.00 0.00 C ATOM 1429 CE1 TYR A 94 16.553 -5.898 -13.815 1.00 0.00 C ATOM 1430 CE2 TYR A 94 17.440 -6.508 -11.644 1.00 0.00 C ATOM 1431 CZ TYR A 94 17.352 -6.731 -13.022 1.00 0.00 C ATOM 1432 OH TYR A 94 18.052 -7.770 -13.601 1.00 0.00 O ATOM 0 H TYR A 94 17.041 -0.966 -10.621 1.00 0.00 H new ATOM 0 HA TYR A 94 16.559 -2.335 -12.391 1.00 0.00 H new ATOM 0 HB2 TYR A 94 15.282 -3.509 -10.133 1.00 0.00 H new ATOM 0 HB3 TYR A 94 14.101 -3.583 -11.426 1.00 0.00 H new ATOM 0 HD1 TYR A 94 15.226 -4.201 -13.841 1.00 0.00 H new ATOM 0 HD2 TYR A 94 16.797 -5.282 -9.993 1.00 0.00 H new ATOM 0 HE1 TYR A 94 16.485 -6.069 -14.879 1.00 0.00 H new ATOM 0 HE2 TYR A 94 18.057 -7.150 -11.032 1.00 0.00 H new ATOM 0 HH TYR A 94 18.557 -8.249 -12.911 1.00 0.00 H new ATOM 1442 N GLN A 95 14.771 -0.233 -12.939 1.00 0.00 N ATOM 1443 CA GLN A 95 13.741 0.477 -13.749 1.00 0.00 C ATOM 1444 C GLN A 95 13.253 -0.438 -14.874 1.00 0.00 C ATOM 1445 O GLN A 95 12.099 -0.410 -15.252 1.00 0.00 O ATOM 1446 CB GLN A 95 14.349 1.750 -14.347 1.00 0.00 C ATOM 1447 CG GLN A 95 15.809 1.493 -14.727 1.00 0.00 C ATOM 1448 CD GLN A 95 16.219 2.446 -15.853 1.00 0.00 C ATOM 1449 OE1 GLN A 95 15.379 3.009 -16.523 1.00 0.00 O ATOM 1450 NE2 GLN A 95 17.487 2.652 -16.086 1.00 0.00 N ATOM 0 H GLN A 95 15.587 0.326 -12.689 1.00 0.00 H new ATOM 0 HA GLN A 95 12.898 0.744 -13.111 1.00 0.00 H new ATOM 0 HB2 GLN A 95 13.783 2.057 -15.226 1.00 0.00 H new ATOM 0 HB3 GLN A 95 14.288 2.567 -13.628 1.00 0.00 H new ATOM 0 HG2 GLN A 95 16.453 1.640 -13.860 1.00 0.00 H new ATOM 0 HG3 GLN A 95 15.936 0.459 -15.047 1.00 0.00 H new ATOM 0 HE21 GLN A 95 18.193 2.178 -15.522 1.00 0.00 H new ATOM 0 HE22 GLN A 95 17.772 3.287 -16.832 1.00 0.00 H new ATOM 1459 N GLN A 96 14.121 -1.251 -15.408 1.00 0.00 N ATOM 1460 CA GLN A 96 13.704 -2.172 -16.505 1.00 0.00 C ATOM 1461 C GLN A 96 13.597 -3.595 -15.952 1.00 0.00 C ATOM 1462 O GLN A 96 14.424 -4.441 -16.229 1.00 0.00 O ATOM 1463 CB GLN A 96 14.747 -2.135 -17.625 1.00 0.00 C ATOM 1464 CG GLN A 96 14.070 -2.422 -18.966 1.00 0.00 C ATOM 1465 CD GLN A 96 13.761 -1.103 -19.678 1.00 0.00 C ATOM 1466 OE1 GLN A 96 12.746 -0.486 -19.424 1.00 0.00 O ATOM 1467 NE2 GLN A 96 14.601 -0.641 -20.565 1.00 0.00 N ATOM 0 H GLN A 96 15.101 -1.319 -15.133 1.00 0.00 H new ATOM 0 HA GLN A 96 12.738 -1.859 -16.901 1.00 0.00 H new ATOM 0 HB2 GLN A 96 15.232 -1.159 -17.652 1.00 0.00 H new ATOM 0 HB3 GLN A 96 15.526 -2.873 -17.434 1.00 0.00 H new ATOM 0 HG2 GLN A 96 14.719 -3.039 -19.588 1.00 0.00 H new ATOM 0 HG3 GLN A 96 13.150 -2.985 -18.807 1.00 0.00 H new ATOM 0 HE21 GLN A 96 15.453 -1.159 -20.778 1.00 0.00 H new ATOM 0 HE22 GLN A 96 14.405 0.238 -21.044 1.00 0.00 H new ATOM 1476 N GLY A 97 12.589 -3.865 -15.166 1.00 0.00 N ATOM 1477 CA GLY A 97 12.442 -5.234 -14.593 1.00 0.00 C ATOM 1478 C GLY A 97 10.966 -5.637 -14.571 1.00 0.00 C ATOM 1479 O GLY A 97 10.544 -6.520 -15.292 1.00 0.00 O ATOM 0 H GLY A 97 11.864 -3.200 -14.897 1.00 0.00 H new ATOM 0 HA2 GLY A 97 13.014 -5.948 -15.186 1.00 0.00 H new ATOM 0 HA3 GLY A 97 12.850 -5.260 -13.582 1.00 0.00 H new ATOM 1483 N ALA A 98 10.176 -5.008 -13.742 1.00 0.00 N ATOM 1484 CA ALA A 98 8.731 -5.373 -13.674 1.00 0.00 C ATOM 1485 C ALA A 98 7.876 -4.110 -13.543 1.00 0.00 C ATOM 1486 O ALA A 98 7.143 -3.941 -12.588 1.00 0.00 O ATOM 1487 CB ALA A 98 8.493 -6.275 -12.460 1.00 0.00 C ATOM 0 H ALA A 98 10.467 -4.261 -13.112 1.00 0.00 H new ATOM 0 HA ALA A 98 8.452 -5.900 -14.587 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.438 -6.543 -12.407 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.093 -7.180 -12.556 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.778 -5.745 -11.551 1.00 0.00 H new ATOM 1493 N PHE A 99 7.956 -3.222 -14.497 1.00 0.00 N ATOM 1494 CA PHE A 99 7.137 -1.979 -14.425 1.00 0.00 C ATOM 1495 C PHE A 99 6.390 -1.790 -15.746 1.00 0.00 C ATOM 1496 O PHE A 99 6.669 -2.454 -16.724 1.00 0.00 O ATOM 1497 CB PHE A 99 8.046 -0.778 -14.163 1.00 0.00 C ATOM 1498 CG PHE A 99 7.961 -0.405 -12.702 1.00 0.00 C ATOM 1499 CD1 PHE A 99 6.906 0.392 -12.241 1.00 0.00 C ATOM 1500 CD2 PHE A 99 8.935 -0.860 -11.807 1.00 0.00 C ATOM 1501 CE1 PHE A 99 6.827 0.732 -10.885 1.00 0.00 C ATOM 1502 CE2 PHE A 99 8.855 -0.521 -10.452 1.00 0.00 C ATOM 1503 CZ PHE A 99 7.801 0.276 -9.990 1.00 0.00 C ATOM 0 H PHE A 99 8.552 -3.304 -15.321 1.00 0.00 H new ATOM 0 HA PHE A 99 6.417 -2.062 -13.611 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.075 -1.019 -14.430 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.744 0.065 -14.785 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.154 0.744 -12.931 1.00 0.00 H new ATOM 0 HD2 PHE A 99 9.750 -1.474 -12.162 1.00 0.00 H new ATOM 0 HE1 PHE A 99 6.013 1.347 -10.530 1.00 0.00 H new ATOM 0 HE2 PHE A 99 9.607 -0.874 -9.762 1.00 0.00 H new ATOM 0 HZ PHE A 99 7.740 0.539 -8.944 1.00 0.00 H new ATOM 1513 N ASP A 100 5.432 -0.903 -15.784 1.00 0.00 N ATOM 1514 CA ASP A 100 4.667 -0.699 -17.047 1.00 0.00 C ATOM 1515 C ASP A 100 4.505 0.795 -17.342 1.00 0.00 C ATOM 1516 O ASP A 100 4.424 1.201 -18.484 1.00 0.00 O ATOM 1517 CB ASP A 100 3.284 -1.337 -16.907 1.00 0.00 C ATOM 1518 CG ASP A 100 2.884 -1.989 -18.230 1.00 0.00 C ATOM 1519 OD1 ASP A 100 3.738 -2.098 -19.095 1.00 0.00 O ATOM 1520 OD2 ASP A 100 1.732 -2.369 -18.357 1.00 0.00 O ATOM 0 H ASP A 100 5.148 -0.315 -15.001 1.00 0.00 H new ATOM 0 HA ASP A 100 5.214 -1.163 -17.868 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.295 -2.082 -16.111 1.00 0.00 H new ATOM 0 HB3 ASP A 100 2.551 -0.581 -16.626 1.00 0.00 H new ATOM 1525 N TYR A 101 4.441 1.617 -16.332 1.00 0.00 N ATOM 1526 CA TYR A 101 4.266 3.076 -16.582 1.00 0.00 C ATOM 1527 C TYR A 101 2.823 3.323 -17.025 1.00 0.00 C ATOM 1528 O TYR A 101 2.446 3.007 -18.137 1.00 0.00 O ATOM 1529 CB TYR A 101 5.223 3.522 -17.691 1.00 0.00 C ATOM 1530 CG TYR A 101 6.101 4.644 -17.189 1.00 0.00 C ATOM 1531 CD1 TYR A 101 6.828 4.486 -16.003 1.00 0.00 C ATOM 1532 CD2 TYR A 101 6.190 5.840 -17.911 1.00 0.00 C ATOM 1533 CE1 TYR A 101 7.644 5.525 -15.540 1.00 0.00 C ATOM 1534 CE2 TYR A 101 7.008 6.878 -17.448 1.00 0.00 C ATOM 1535 CZ TYR A 101 7.734 6.721 -16.262 1.00 0.00 C ATOM 1536 OH TYR A 101 8.538 7.745 -15.805 1.00 0.00 O ATOM 0 H TYR A 101 4.502 1.345 -15.351 1.00 0.00 H new ATOM 0 HA TYR A 101 4.482 3.640 -15.675 1.00 0.00 H new ATOM 0 HB2 TYR A 101 5.839 2.682 -18.012 1.00 0.00 H new ATOM 0 HB3 TYR A 101 4.656 3.853 -18.561 1.00 0.00 H new ATOM 0 HD1 TYR A 101 6.759 3.563 -15.446 1.00 0.00 H new ATOM 0 HD2 TYR A 101 5.628 5.962 -18.825 1.00 0.00 H new ATOM 0 HE1 TYR A 101 8.205 5.404 -14.625 1.00 0.00 H new ATOM 0 HE2 TYR A 101 7.079 7.800 -18.006 1.00 0.00 H new ATOM 0 HH TYR A 101 8.487 8.503 -16.425 1.00 0.00 H new ATOM 1546 N LEU A 102 2.006 3.870 -16.168 1.00 0.00 N ATOM 1547 CA LEU A 102 0.588 4.112 -16.557 1.00 0.00 C ATOM 1548 C LEU A 102 0.284 5.612 -16.545 1.00 0.00 C ATOM 1549 O LEU A 102 0.369 6.257 -15.518 1.00 0.00 O ATOM 1550 CB LEU A 102 -0.338 3.397 -15.569 1.00 0.00 C ATOM 1551 CG LEU A 102 -1.104 2.292 -16.297 1.00 0.00 C ATOM 1552 CD1 LEU A 102 -0.357 0.966 -16.141 1.00 0.00 C ATOM 1553 CD2 LEU A 102 -2.504 2.158 -15.692 1.00 0.00 C ATOM 0 H LEU A 102 2.256 4.158 -15.222 1.00 0.00 H new ATOM 0 HA LEU A 102 0.425 3.726 -17.563 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.244 2.973 -14.751 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.036 4.109 -15.128 1.00 0.00 H new ATOM 0 HG LEU A 102 -1.185 2.544 -17.354 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.903 0.178 -16.660 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.641 1.058 -16.569 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.277 0.716 -15.083 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.051 1.370 -16.211 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.421 1.906 -14.635 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -3.039 3.102 -15.799 1.00 0.00 H new ATOM 1565 N PRO A 103 -0.078 6.114 -17.697 1.00 0.00 N ATOM 1566 CA PRO A 103 -0.409 7.553 -17.786 1.00 0.00 C ATOM 1567 C PRO A 103 -1.925 7.732 -17.913 1.00 0.00 C ATOM 1568 O PRO A 103 -2.613 6.897 -18.464 1.00 0.00 O ATOM 1569 CB PRO A 103 0.299 8.033 -19.054 1.00 0.00 C ATOM 1570 CG PRO A 103 0.514 6.783 -19.925 1.00 0.00 C ATOM 1571 CD PRO A 103 0.441 5.574 -18.978 1.00 0.00 C ATOM 0 HA PRO A 103 -0.096 8.114 -16.905 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -0.303 8.774 -19.579 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.250 8.508 -18.813 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -0.249 6.715 -20.701 1.00 0.00 H new ATOM 0 HG3 PRO A 103 1.479 6.823 -20.430 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -0.218 4.802 -19.375 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.422 5.118 -18.845 1.00 0.00 H new ATOM 1579 N LYS A 104 -2.453 8.812 -17.404 1.00 0.00 N ATOM 1580 CA LYS A 104 -3.924 9.032 -17.499 1.00 0.00 C ATOM 1581 C LYS A 104 -4.243 9.823 -18.776 1.00 0.00 C ATOM 1582 O LYS A 104 -3.451 10.638 -19.205 1.00 0.00 O ATOM 1583 CB LYS A 104 -4.401 9.817 -16.275 1.00 0.00 C ATOM 1584 CG LYS A 104 -4.387 8.904 -15.048 1.00 0.00 C ATOM 1585 CD LYS A 104 -4.259 9.749 -13.779 1.00 0.00 C ATOM 1586 CE LYS A 104 -3.173 9.155 -12.878 1.00 0.00 C ATOM 1587 NZ LYS A 104 -3.499 9.433 -11.451 1.00 0.00 N ATOM 0 H LYS A 104 -1.932 9.549 -16.928 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.435 8.070 -17.534 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -3.755 10.679 -16.108 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -5.407 10.201 -16.445 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -5.302 8.313 -15.012 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -3.556 8.202 -15.114 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -4.009 10.778 -14.038 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -5.211 9.776 -13.249 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -3.099 8.080 -13.042 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -2.203 9.584 -13.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -2.858 10.165 -11.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -4.482 9.765 -11.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -3.386 8.563 -10.893 1.00 0.00 H new ATOM 1601 N PRO A 105 -5.397 9.562 -19.352 1.00 0.00 N ATOM 1602 CA PRO A 105 -6.318 8.554 -18.772 1.00 0.00 C ATOM 1603 C PRO A 105 -6.023 7.166 -19.350 1.00 0.00 C ATOM 1604 O PRO A 105 -5.477 7.033 -20.428 1.00 0.00 O ATOM 1605 CB PRO A 105 -7.713 9.028 -19.184 1.00 0.00 C ATOM 1606 CG PRO A 105 -7.514 9.922 -20.423 1.00 0.00 C ATOM 1607 CD PRO A 105 -6.045 10.379 -20.405 1.00 0.00 C ATOM 0 HA PRO A 105 -6.215 8.467 -17.690 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -8.360 8.181 -19.415 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -8.190 9.583 -18.376 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.737 9.372 -21.337 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.187 10.779 -20.394 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.571 10.220 -21.374 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.966 11.443 -20.182 1.00 0.00 H new ATOM 1615 N PHE A 106 -6.376 6.132 -18.636 1.00 0.00 N ATOM 1616 CA PHE A 106 -6.115 4.751 -19.136 1.00 0.00 C ATOM 1617 C PHE A 106 -7.391 3.916 -19.009 1.00 0.00 C ATOM 1618 O PHE A 106 -8.349 4.321 -18.381 1.00 0.00 O ATOM 1619 CB PHE A 106 -5.006 4.113 -18.297 1.00 0.00 C ATOM 1620 CG PHE A 106 -5.419 4.106 -16.843 1.00 0.00 C ATOM 1621 CD1 PHE A 106 -5.399 5.295 -16.103 1.00 0.00 C ATOM 1622 CD2 PHE A 106 -5.824 2.911 -16.234 1.00 0.00 C ATOM 1623 CE1 PHE A 106 -5.783 5.288 -14.756 1.00 0.00 C ATOM 1624 CE2 PHE A 106 -6.208 2.905 -14.887 1.00 0.00 C ATOM 1625 CZ PHE A 106 -6.188 4.094 -14.149 1.00 0.00 C ATOM 0 H PHE A 106 -6.835 6.184 -17.726 1.00 0.00 H new ATOM 0 HA PHE A 106 -5.808 4.791 -20.181 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -4.817 3.095 -18.638 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -4.076 4.668 -18.420 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -5.088 6.217 -16.571 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -5.840 1.994 -16.804 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -5.766 6.205 -14.185 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -6.519 1.983 -14.418 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.485 4.090 -13.111 1.00 0.00 H new ATOM 1635 N ASP A 107 -7.412 2.748 -19.595 1.00 0.00 N ATOM 1636 CA ASP A 107 -8.618 1.890 -19.499 1.00 0.00 C ATOM 1637 C ASP A 107 -8.536 1.071 -18.209 1.00 0.00 C ATOM 1638 O ASP A 107 -7.507 1.018 -17.569 1.00 0.00 O ATOM 1639 CB ASP A 107 -8.646 0.951 -20.701 1.00 0.00 C ATOM 1640 CG ASP A 107 -10.094 0.690 -21.122 1.00 0.00 C ATOM 1641 OD1 ASP A 107 -10.741 -0.117 -20.477 1.00 0.00 O ATOM 1642 OD2 ASP A 107 -10.529 1.302 -22.083 1.00 0.00 O ATOM 0 H ASP A 107 -6.642 2.355 -20.136 1.00 0.00 H new ATOM 0 HA ASP A 107 -9.522 2.500 -19.489 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -8.090 1.390 -21.530 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -8.155 0.010 -20.451 1.00 0.00 H new ATOM 1647 N ILE A 108 -9.601 0.433 -17.817 1.00 0.00 N ATOM 1648 CA ILE A 108 -9.554 -0.370 -16.563 1.00 0.00 C ATOM 1649 C ILE A 108 -9.250 -1.830 -16.893 1.00 0.00 C ATOM 1650 O ILE A 108 -8.244 -2.366 -16.481 1.00 0.00 O ATOM 1651 CB ILE A 108 -10.901 -0.275 -15.845 1.00 0.00 C ATOM 1652 CG1 ILE A 108 -11.212 1.191 -15.540 1.00 0.00 C ATOM 1653 CG2 ILE A 108 -10.841 -1.066 -14.536 1.00 0.00 C ATOM 1654 CD1 ILE A 108 -10.012 1.838 -14.846 1.00 0.00 C ATOM 0 H ILE A 108 -10.496 0.431 -18.305 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.769 0.020 -15.915 1.00 0.00 H new ATOM 0 HB ILE A 108 -11.682 -0.689 -16.483 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -11.442 1.724 -16.463 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -12.094 1.261 -14.903 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -11.801 -0.998 -14.025 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -10.619 -2.111 -14.752 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -10.060 -0.654 -13.897 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -10.236 2.883 -14.630 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -9.803 1.312 -13.915 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -9.141 1.782 -15.498 1.00 0.00 H new ATOM 1666 N ASP A 109 -10.100 -2.478 -17.637 1.00 0.00 N ATOM 1667 CA ASP A 109 -9.843 -3.896 -17.988 1.00 0.00 C ATOM 1668 C ASP A 109 -8.471 -4.003 -18.638 1.00 0.00 C ATOM 1669 O ASP A 109 -7.647 -4.811 -18.256 1.00 0.00 O ATOM 1670 CB ASP A 109 -10.910 -4.351 -18.974 1.00 0.00 C ATOM 1671 CG ASP A 109 -10.787 -5.857 -19.216 1.00 0.00 C ATOM 1672 OD1 ASP A 109 -9.913 -6.464 -18.619 1.00 0.00 O ATOM 1673 OD2 ASP A 109 -11.569 -6.377 -19.995 1.00 0.00 O ATOM 0 H ASP A 109 -10.961 -2.085 -18.016 1.00 0.00 H new ATOM 0 HA ASP A 109 -9.872 -4.521 -17.095 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.901 -4.116 -18.585 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -10.801 -3.812 -19.915 1.00 0.00 H new ATOM 1678 N GLU A 110 -8.218 -3.177 -19.611 1.00 0.00 N ATOM 1679 CA GLU A 110 -6.896 -3.203 -20.289 1.00 0.00 C ATOM 1680 C GLU A 110 -5.806 -3.313 -19.221 1.00 0.00 C ATOM 1681 O GLU A 110 -4.913 -4.134 -19.310 1.00 0.00 O ATOM 1682 CB GLU A 110 -6.727 -1.906 -21.074 1.00 0.00 C ATOM 1683 CG GLU A 110 -5.374 -1.891 -21.784 1.00 0.00 C ATOM 1684 CD GLU A 110 -5.438 -2.787 -23.023 1.00 0.00 C ATOM 1685 OE1 GLU A 110 -6.409 -3.512 -23.156 1.00 0.00 O ATOM 1686 OE2 GLU A 110 -4.515 -2.730 -23.820 1.00 0.00 O ATOM 0 H GLU A 110 -8.873 -2.482 -19.967 1.00 0.00 H new ATOM 0 HA GLU A 110 -6.825 -4.051 -20.970 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -7.530 -1.807 -21.804 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -6.802 -1.052 -20.400 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.114 -0.872 -22.072 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -4.593 -2.241 -21.109 1.00 0.00 H new ATOM 1693 N ALA A 111 -5.888 -2.504 -18.196 1.00 0.00 N ATOM 1694 CA ALA A 111 -4.883 -2.568 -17.114 1.00 0.00 C ATOM 1695 C ALA A 111 -4.958 -3.947 -16.454 1.00 0.00 C ATOM 1696 O ALA A 111 -4.045 -4.742 -16.553 1.00 0.00 O ATOM 1697 CB ALA A 111 -5.216 -1.486 -16.094 1.00 0.00 C ATOM 0 H ALA A 111 -6.616 -1.800 -18.069 1.00 0.00 H new ATOM 0 HA ALA A 111 -3.878 -2.411 -17.505 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -4.487 -1.513 -15.284 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.186 -0.509 -16.577 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -6.213 -1.661 -15.691 1.00 0.00 H new ATOM 1703 N VAL A 112 -6.044 -4.220 -15.774 1.00 0.00 N ATOM 1704 CA VAL A 112 -6.212 -5.532 -15.087 1.00 0.00 C ATOM 1705 C VAL A 112 -5.571 -6.655 -15.907 1.00 0.00 C ATOM 1706 O VAL A 112 -4.539 -7.179 -15.552 1.00 0.00 O ATOM 1707 CB VAL A 112 -7.708 -5.815 -14.939 1.00 0.00 C ATOM 1708 CG1 VAL A 112 -7.920 -7.268 -14.508 1.00 0.00 C ATOM 1709 CG2 VAL A 112 -8.303 -4.882 -13.882 1.00 0.00 C ATOM 0 H VAL A 112 -6.830 -3.579 -15.666 1.00 0.00 H new ATOM 0 HA VAL A 112 -5.728 -5.491 -14.111 1.00 0.00 H new ATOM 0 HB VAL A 112 -8.201 -5.646 -15.896 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -8.987 -7.465 -14.404 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -7.500 -7.936 -15.260 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -7.424 -7.440 -13.553 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -9.369 -5.084 -13.777 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -7.806 -5.050 -12.927 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -8.159 -3.846 -14.188 1.00 0.00 H new ATOM 1719 N ALA A 113 -6.190 -7.031 -16.997 1.00 0.00 N ATOM 1720 CA ALA A 113 -5.636 -8.132 -17.844 1.00 0.00 C ATOM 1721 C ALA A 113 -4.110 -8.033 -17.921 1.00 0.00 C ATOM 1722 O ALA A 113 -3.404 -8.896 -17.439 1.00 0.00 O ATOM 1723 CB ALA A 113 -6.224 -8.029 -19.254 1.00 0.00 C ATOM 0 H ALA A 113 -7.059 -6.621 -17.339 1.00 0.00 H new ATOM 0 HA ALA A 113 -5.903 -9.090 -17.397 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -5.823 -8.830 -19.875 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -7.309 -8.118 -19.203 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -5.959 -7.065 -19.689 1.00 0.00 H new ATOM 1729 N LEU A 114 -3.605 -6.997 -18.543 1.00 0.00 N ATOM 1730 CA LEU A 114 -2.129 -6.823 -18.684 1.00 0.00 C ATOM 1731 C LEU A 114 -1.429 -7.355 -17.440 1.00 0.00 C ATOM 1732 O LEU A 114 -0.550 -8.187 -17.508 1.00 0.00 O ATOM 1733 CB LEU A 114 -1.843 -5.326 -18.834 1.00 0.00 C ATOM 1734 CG LEU A 114 -0.338 -5.041 -18.734 1.00 0.00 C ATOM 1735 CD1 LEU A 114 0.087 -5.020 -17.264 1.00 0.00 C ATOM 1736 CD2 LEU A 114 0.453 -6.120 -19.484 1.00 0.00 C ATOM 0 H LEU A 114 -4.163 -6.254 -18.965 1.00 0.00 H new ATOM 0 HA LEU A 114 -1.763 -7.370 -19.553 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.220 -4.974 -19.794 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.374 -4.771 -18.060 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.131 -4.070 -19.185 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.156 -4.817 -17.197 1.00 0.00 H new ATOM 0 HD12 LEU A 114 -0.464 -4.241 -16.737 1.00 0.00 H new ATOM 0 HD13 LEU A 114 -0.128 -5.987 -16.809 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.520 -5.909 -19.407 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.244 -7.096 -19.045 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.159 -6.124 -20.533 1.00 0.00 H new ATOM 1748 N VAL A 115 -1.829 -6.889 -16.301 1.00 0.00 N ATOM 1749 CA VAL A 115 -1.212 -7.374 -15.047 1.00 0.00 C ATOM 1750 C VAL A 115 -1.365 -8.899 -14.992 1.00 0.00 C ATOM 1751 O VAL A 115 -0.397 -9.632 -14.923 1.00 0.00 O ATOM 1752 CB VAL A 115 -1.939 -6.708 -13.864 1.00 0.00 C ATOM 1753 CG1 VAL A 115 -2.026 -7.661 -12.669 1.00 0.00 C ATOM 1754 CG2 VAL A 115 -1.182 -5.444 -13.450 1.00 0.00 C ATOM 0 H VAL A 115 -2.561 -6.189 -16.183 1.00 0.00 H new ATOM 0 HA VAL A 115 -0.152 -7.123 -15.000 1.00 0.00 H new ATOM 0 HB VAL A 115 -2.951 -6.453 -14.179 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -2.544 -7.167 -11.847 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -2.575 -8.557 -12.958 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.021 -7.938 -12.351 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.695 -4.971 -12.613 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -0.168 -5.709 -13.152 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.144 -4.751 -14.291 1.00 0.00 H new ATOM 1764 N GLU A 116 -2.582 -9.370 -14.992 1.00 0.00 N ATOM 1765 CA GLU A 116 -2.834 -10.840 -14.904 1.00 0.00 C ATOM 1766 C GLU A 116 -1.792 -11.629 -15.707 1.00 0.00 C ATOM 1767 O GLU A 116 -1.304 -12.651 -15.266 1.00 0.00 O ATOM 1768 CB GLU A 116 -4.232 -11.139 -15.459 1.00 0.00 C ATOM 1769 CG GLU A 116 -4.384 -12.643 -15.703 1.00 0.00 C ATOM 1770 CD GLU A 116 -4.123 -12.952 -17.178 1.00 0.00 C ATOM 1771 OE1 GLU A 116 -2.964 -13.043 -17.547 1.00 0.00 O ATOM 1772 OE2 GLU A 116 -5.086 -13.090 -17.913 1.00 0.00 O ATOM 0 H GLU A 116 -3.422 -8.795 -15.050 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.764 -11.144 -13.860 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.992 -10.797 -14.757 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.388 -10.593 -16.389 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -3.685 -13.196 -15.076 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -5.387 -12.967 -15.425 1.00 0.00 H new ATOM 1779 N ARG A 117 -1.466 -11.185 -16.891 1.00 0.00 N ATOM 1780 CA ARG A 117 -0.480 -11.942 -17.716 1.00 0.00 C ATOM 1781 C ARG A 117 0.943 -11.692 -17.217 1.00 0.00 C ATOM 1782 O ARG A 117 1.769 -12.581 -17.215 1.00 0.00 O ATOM 1783 CB ARG A 117 -0.617 -11.530 -19.193 1.00 0.00 C ATOM 1784 CG ARG A 117 0.068 -10.184 -19.455 1.00 0.00 C ATOM 1785 CD ARG A 117 0.404 -10.068 -20.942 1.00 0.00 C ATOM 1786 NE ARG A 117 -0.825 -10.305 -21.748 1.00 0.00 N ATOM 1787 CZ ARG A 117 -0.726 -10.650 -23.003 1.00 0.00 C ATOM 1788 NH1 ARG A 117 0.447 -10.721 -23.575 1.00 0.00 N ATOM 1789 NH2 ARG A 117 -1.803 -10.925 -23.685 1.00 0.00 N ATOM 0 H ARG A 117 -1.836 -10.337 -17.321 1.00 0.00 H new ATOM 0 HA ARG A 117 -0.686 -13.009 -17.625 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -0.176 -12.296 -19.830 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -1.672 -11.463 -19.459 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -0.586 -9.366 -19.153 1.00 0.00 H new ATOM 0 HG3 ARG A 117 0.976 -10.103 -18.858 1.00 0.00 H new ATOM 0 HD2 ARG A 117 0.809 -9.079 -21.158 1.00 0.00 H new ATOM 0 HD3 ARG A 117 1.173 -10.793 -21.210 1.00 0.00 H new ATOM 0 HE ARG A 117 -1.744 -10.198 -21.320 1.00 0.00 H new ATOM 0 HH11 ARG A 117 1.289 -10.506 -23.041 1.00 0.00 H new ATOM 0 HH12 ARG A 117 0.521 -10.991 -24.556 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -2.718 -10.870 -23.237 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -1.730 -11.195 -24.666 1.00 0.00 H new ATOM 1803 N ALA A 118 1.242 -10.503 -16.785 1.00 0.00 N ATOM 1804 CA ALA A 118 2.614 -10.238 -16.283 1.00 0.00 C ATOM 1805 C ALA A 118 2.842 -11.104 -15.048 1.00 0.00 C ATOM 1806 O ALA A 118 3.653 -12.009 -15.049 1.00 0.00 O ATOM 1807 CB ALA A 118 2.751 -8.761 -15.912 1.00 0.00 C ATOM 0 H ALA A 118 0.602 -9.709 -16.757 1.00 0.00 H new ATOM 0 HA ALA A 118 3.351 -10.474 -17.051 1.00 0.00 H new ATOM 0 HB1 ALA A 118 3.759 -8.570 -15.544 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.564 -8.146 -16.792 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.028 -8.512 -15.135 1.00 0.00 H new ATOM 1813 N ILE A 119 2.131 -10.815 -13.994 1.00 0.00 N ATOM 1814 CA ILE A 119 2.276 -11.587 -12.736 1.00 0.00 C ATOM 1815 C ILE A 119 2.510 -13.069 -13.047 1.00 0.00 C ATOM 1816 O ILE A 119 3.312 -13.726 -12.415 1.00 0.00 O ATOM 1817 CB ILE A 119 0.986 -11.460 -11.931 1.00 0.00 C ATOM 1818 CG1 ILE A 119 0.507 -10.003 -11.927 1.00 0.00 C ATOM 1819 CG2 ILE A 119 1.245 -11.917 -10.491 1.00 0.00 C ATOM 1820 CD1 ILE A 119 -0.654 -9.842 -10.943 1.00 0.00 C ATOM 0 H ILE A 119 1.444 -10.062 -13.954 1.00 0.00 H new ATOM 0 HA ILE A 119 3.125 -11.197 -12.174 1.00 0.00 H new ATOM 0 HB ILE A 119 0.216 -12.084 -12.386 1.00 0.00 H new ATOM 0 HG12 ILE A 119 1.327 -9.342 -11.647 1.00 0.00 H new ATOM 0 HG13 ILE A 119 0.190 -9.712 -12.928 1.00 0.00 H new ATOM 0 HG21 ILE A 119 0.327 -11.829 -9.910 1.00 0.00 H new ATOM 0 HG22 ILE A 119 1.575 -12.956 -10.493 1.00 0.00 H new ATOM 0 HG23 ILE A 119 2.018 -11.292 -10.044 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -0.991 -8.805 -10.944 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -1.477 -10.491 -11.242 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -0.322 -10.115 -9.941 1.00 0.00 H new ATOM 1832 N SER A 120 1.802 -13.602 -14.011 1.00 0.00 N ATOM 1833 CA SER A 120 1.973 -15.043 -14.350 1.00 0.00 C ATOM 1834 C SER A 120 3.038 -15.195 -15.434 1.00 0.00 C ATOM 1835 O SER A 120 2.775 -15.690 -16.512 1.00 0.00 O ATOM 1836 CB SER A 120 0.645 -15.606 -14.858 1.00 0.00 C ATOM 1837 OG SER A 120 0.045 -16.391 -13.835 1.00 0.00 O ATOM 0 H SER A 120 1.115 -13.101 -14.575 1.00 0.00 H new ATOM 0 HA SER A 120 2.285 -15.589 -13.460 1.00 0.00 H new ATOM 0 HB2 SER A 120 -0.021 -14.793 -15.146 1.00 0.00 H new ATOM 0 HB3 SER A 120 0.811 -16.213 -15.748 1.00 0.00 H new ATOM 0 HG SER A 120 -0.807 -16.752 -14.157 1.00 0.00 H new ATOM 1843 N HIS A 121 4.241 -14.777 -15.157 1.00 0.00 N ATOM 1844 CA HIS A 121 5.325 -14.903 -16.170 1.00 0.00 C ATOM 1845 C HIS A 121 6.541 -15.581 -15.534 1.00 0.00 C ATOM 1846 O HIS A 121 7.037 -16.575 -16.025 1.00 0.00 O ATOM 1847 CB HIS A 121 5.722 -13.515 -16.675 1.00 0.00 C ATOM 1848 CG HIS A 121 6.902 -13.638 -17.597 1.00 0.00 C ATOM 1849 ND1 HIS A 121 8.247 -13.783 -17.355 1.00 0.00 N flip ATOM 1850 CD2 HIS A 121 6.767 -13.616 -18.976 1.00 0.00 C flip ATOM 1851 CE1 HIS A 121 8.936 -13.850 -18.562 1.00 0.00 C flip ATOM 1852 NE2 HIS A 121 7.997 -13.744 -19.507 1.00 0.00 N flip ATOM 0 H HIS A 121 4.521 -14.353 -14.272 1.00 0.00 H new ATOM 0 HA HIS A 121 4.969 -15.503 -17.007 1.00 0.00 H new ATOM 0 HB2 HIS A 121 4.885 -13.053 -17.198 1.00 0.00 H new ATOM 0 HB3 HIS A 121 5.969 -12.867 -15.834 1.00 0.00 H new ATOM 0 HD2 HIS A 121 5.842 -13.515 -19.525 1.00 0.00 H new ATOM 0 HE1 HIS A 121 10.001 -13.963 -18.704 1.00 0.00 H new ATOM 0 HE2 HIS A 121 8.189 -13.758 -20.509 1.00 0.00 H new ATOM 1860 N TYR A 122 7.026 -15.051 -14.444 1.00 0.00 N ATOM 1861 CA TYR A 122 8.207 -15.660 -13.779 1.00 0.00 C ATOM 1862 C TYR A 122 7.767 -16.889 -12.979 1.00 0.00 C ATOM 1863 O TYR A 122 6.762 -16.869 -12.295 1.00 0.00 O ATOM 1864 CB TYR A 122 8.832 -14.636 -12.834 1.00 0.00 C ATOM 1865 CG TYR A 122 7.752 -14.028 -11.974 1.00 0.00 C ATOM 1866 CD1 TYR A 122 7.310 -14.701 -10.828 1.00 0.00 C ATOM 1867 CD2 TYR A 122 7.194 -12.793 -12.320 1.00 0.00 C ATOM 1868 CE1 TYR A 122 6.308 -14.139 -10.029 1.00 0.00 C ATOM 1869 CE2 TYR A 122 6.192 -12.229 -11.520 1.00 0.00 C ATOM 1870 CZ TYR A 122 5.748 -12.903 -10.375 1.00 0.00 C ATOM 1871 OH TYR A 122 4.761 -12.347 -9.587 1.00 0.00 O ATOM 0 H TYR A 122 6.652 -14.220 -13.986 1.00 0.00 H new ATOM 0 HA TYR A 122 8.936 -15.961 -14.531 1.00 0.00 H new ATOM 0 HB2 TYR A 122 9.585 -15.114 -12.208 1.00 0.00 H new ATOM 0 HB3 TYR A 122 9.339 -13.858 -13.405 1.00 0.00 H new ATOM 0 HD1 TYR A 122 7.743 -15.654 -10.561 1.00 0.00 H new ATOM 0 HD2 TYR A 122 7.536 -12.274 -13.204 1.00 0.00 H new ATOM 0 HE1 TYR A 122 5.967 -14.658 -9.146 1.00 0.00 H new ATOM 0 HE2 TYR A 122 5.762 -11.275 -11.786 1.00 0.00 H new ATOM 0 HH TYR A 122 4.887 -12.629 -8.657 1.00 0.00 H new ATOM 1881 N GLN A 123 8.510 -17.959 -13.061 1.00 0.00 N ATOM 1882 CA GLN A 123 8.135 -19.187 -12.306 1.00 0.00 C ATOM 1883 C GLN A 123 9.092 -20.321 -12.676 1.00 0.00 C ATOM 1884 O GLN A 123 9.379 -21.191 -11.877 1.00 0.00 O ATOM 1885 CB GLN A 123 6.704 -19.585 -12.665 1.00 0.00 C ATOM 1886 CG GLN A 123 5.839 -19.582 -11.402 1.00 0.00 C ATOM 1887 CD GLN A 123 4.804 -20.704 -11.487 1.00 0.00 C ATOM 1888 OE1 GLN A 123 3.693 -20.490 -11.932 1.00 0.00 O ATOM 1889 NE2 GLN A 123 5.121 -21.900 -11.073 1.00 0.00 N ATOM 0 H GLN A 123 9.361 -18.035 -13.619 1.00 0.00 H new ATOM 0 HA GLN A 123 8.199 -18.994 -11.235 1.00 0.00 H new ATOM 0 HB2 GLN A 123 6.296 -18.891 -13.399 1.00 0.00 H new ATOM 0 HB3 GLN A 123 6.695 -20.574 -13.122 1.00 0.00 H new ATOM 0 HG2 GLN A 123 6.465 -19.717 -10.520 1.00 0.00 H new ATOM 0 HG3 GLN A 123 5.339 -18.620 -11.294 1.00 0.00 H new ATOM 0 HE21 GLN A 123 6.053 -22.080 -10.700 1.00 0.00 H new ATOM 0 HE22 GLN A 123 4.437 -22.655 -11.123 1.00 0.00 H new ATOM 1898 N GLU A 124 9.590 -20.318 -13.882 1.00 0.00 N ATOM 1899 CA GLU A 124 10.531 -21.395 -14.303 1.00 0.00 C ATOM 1900 C GLU A 124 11.718 -21.438 -13.339 1.00 0.00 C ATOM 1901 O GLU A 124 11.856 -22.430 -12.644 1.00 0.00 O ATOM 1902 CB GLU A 124 11.033 -21.108 -15.720 1.00 0.00 C ATOM 1903 CG GLU A 124 11.266 -22.430 -16.456 1.00 0.00 C ATOM 1904 CD GLU A 124 9.960 -23.224 -16.507 1.00 0.00 C ATOM 1905 OE1 GLU A 124 8.922 -22.609 -16.690 1.00 0.00 O ATOM 1906 OE2 GLU A 124 10.019 -24.434 -16.362 1.00 0.00 O ATOM 1907 OXT GLU A 124 12.470 -20.477 -13.313 1.00 0.00 O ATOM 0 H GLU A 124 9.386 -19.617 -14.594 1.00 0.00 H new ATOM 0 HA GLU A 124 10.016 -22.356 -14.288 1.00 0.00 H new ATOM 0 HB2 GLU A 124 10.305 -20.502 -16.260 1.00 0.00 H new ATOM 0 HB3 GLU A 124 11.958 -20.534 -15.680 1.00 0.00 H new ATOM 0 HG2 GLU A 124 11.626 -22.237 -17.467 1.00 0.00 H new ATOM 0 HG3 GLU A 124 12.037 -23.010 -15.948 1.00 0.00 H new TER 1914 GLU A 124